microsoft/mattersim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

Language: Jupyter Notebook - Size: 73.5 MB - Last synced at: about 4 hours ago - Pushed at: 2 months ago - Stars: 453 - Forks: 58

ElliotXie/CASSIA

CASSIA: A multiagent llm based single cell Annottaion framework

Language: Python - Size: 312 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 45 - Forks: 2

MatAgentHub/awesome-ai-agents-for-materials-science

A curated list of AI agents and related resources for materials science research and applications

Size: 10.7 KB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 2 - Forks: 0

chaobrain/brainunit

Physical units and unit-aware mathematical system for general-purpose brain dynamics modeling.

Size: 3.2 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 14 - Forks: 3

opendatalab/MinerU

A high-quality tool for convert PDF to Markdown and JSON.一站式开源高质量数据提取工具，将PDF转换成Markdown和JSON格式。

Language: Python - Size: 129 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 43,238 - Forks: 3,561

DLS5-Omics/multimolecule

Accelerate Molecular Biology Research with Machine Learning

Language: Python - Size: 33.4 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 40 - Forks: 7

IBM/terratorch

A Python toolkit for fine-tuning Geospatial Foundation Models (GFMs).

Language: Python - Size: 92.7 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 564 - Forks: 93

chaobrain/saiunit

Unit-aware Computations for AI-driven Scientific Computing.

Language: Python - Size: 3.99 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 14 - Forks: 1

open-sciencelab/GraphGen

GraphGen: Enhancing Supervised Fine-Tuning for LLMs with Knowledge-Driven Synthetic Data Generation

Language: Python - Size: 13.9 MB - Last synced at: 4 days ago - Pushed at: 12 days ago - Stars: 335 - Forks: 28

PaddlePaddle/PaddleScience

PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.

Language: Python - Size: 72.8 MB - Last synced at: 2 days ago - Pushed at: 4 days ago - Stars: 394 - Forks: 225

microsoft/Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.

Language: Python - Size: 8.25 MB - Last synced at: about 4 hours ago - Pushed at: over 1 year ago - Stars: 2,339 - Forks: 358

coderonion/awesome-llm-and-aigc

🚀🚀🚀A collection of some awesome public projects about Large Language Model(LLM), Vision Language Model(VLM), Vision Language Action(VLA), AI Generated Content(AIGC), the related Datasets and Applications.

Size: 270 KB - Last synced at: 4 days ago - Pushed at: about 1 month ago - Stars: 748 - Forks: 63

JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

Size: 6.04 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 538 - Forks: 46

haozhg/odmd

AI4Science: Python/Matlab implementation of online and window dynamic mode decomposition (Online DMD and Window DMD)

Language: Python - Size: 938 KB - Last synced at: 5 days ago - Pushed at: almost 3 years ago - Stars: 44 - Forks: 20

izumitkhr/matagent

MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property prediction, and LLM-driven reasoning.

Language: Python - Size: 96.9 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 3 - Forks: 2

truyentran/truyentran.github.io

Homepage of Truyen Tran

Language: HTML - Size: 320 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 0 - Forks: 0

simmzx/SynFrag

Synthetic Accessibility via Fragment Assembly Generation

Language: Python - Size: 95.4 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 4 - Forks: 0

YangYunjia/floGen

General flow field prediction for data-based optimization

Language: Python - Size: 7.69 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 14 - Forks: 1

OSU-NLP-Group/awesome-agents4science

A curated list of papers on LLMs and agents for scientific research and development

Size: 59.6 KB - Last synced at: 9 days ago - Pushed at: 9 months ago - Stars: 71 - Forks: 2

yuzhimanhua/Awesome-Scientific-Language-Models

A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP'24)

Size: 3.21 MB - Last synced at: 10 days ago - Pushed at: 3 months ago - Stars: 603 - Forks: 33

ChemFoundationModels/ChemLLMBench

What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks

Language: Jupyter Notebook - Size: 4.28 MB - Last synced at: 5 days ago - Pushed at: about 1 year ago - Stars: 159 - Forks: 6

ShiqianTan/AI4Polymer

Awesome list about AI4Polymer

Size: 509 KB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 10 - Forks: 1

X-iZhang/RRG-BioNLP-ACL2024

[ACL 2024] 🔬 Med-CXRGen, developed by Glasgow AI4BioMed Lab, brings vision-language adaptation to biomedical radiology via visual instruction tuning.

Language: Python - Size: 737 KB - Last synced at: 10 days ago - Pushed at: 3 months ago - Stars: 1 - Forks: 1

bytedance/PXDesignBench

A Unified Evaluation Suite for Protein Design

Language: Python - Size: 1.8 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 70 - Forks: 6

rlaplaza/rlaplaza.github.io

Ruben and the gang's website at the IIQ in sunny Seville

Language: HTML - Size: 3.03 MB - Last synced at: 4 days ago - Pushed at: 13 days ago - Stars: 0 - Forks: 0

OSU-NLP-Group/ScienceAgentBench

[ICLR'25] ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

Language: Python - Size: 172 MB - Last synced at: 13 days ago - Pushed at: 13 days ago - Stars: 98 - Forks: 14

shengchaochen82/Awesome-Foundation-Models-for-Weather-and-Climate

A comprehesive survey about foundation models for weather and cliamte data understanding.

Size: 374 KB - Last synced at: 9 days ago - Pushed at: 7 months ago - Stars: 250 - Forks: 32

aravindhnivas/ChemXploreML

Machine learning desktop application for molecular property prediction and analysis

Language: Svelte - Size: 117 MB - Last synced at: 10 days ago - Pushed at: 10 days ago - Stars: 17 - Forks: 1

iowarp/iowarp-mcps

Bringing AI practically to science!

Language: Python - Size: 24.9 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 13 - Forks: 19

VV123/cMolGPT

GPT (Generative Pre-trained Transformer) for de novo molecular design by enforcing specified targets

Language: Python - Size: 476 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 19 - Forks: 6

X-iZhang/Libra

[ACL 2025] ⚖️ Temporally-aware MLLM for Biomedical Radiology Analysis and Report Generation. Flexible toolkit with LLM backbone support, real-time validation, training resumption, and smart model saving.

Language: Python - Size: 13.5 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 17 - Forks: 2

chao1224/Geom3D

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

Language: Python - Size: 870 KB - Last synced at: about 15 hours ago - Pushed at: over 1 year ago - Stars: 124 - Forks: 14

LeMaterial/lematerial-llm-synthesis

Language: Python - Size: 8.13 MB - Last synced at: 21 days ago - Pushed at: 21 days ago - Stars: 10 - Forks: 0

bytedance/Protenix

A trainable PyTorch reproduction of AlphaFold 3.

Language: Python - Size: 85.7 MB - Last synced at: 21 days ago - Pushed at: 21 days ago - Stars: 1,265 - Forks: 177

Anikethh/Methodology-Inspiration-Retrieval

How do you train retrievers to find inspirations? [ACL 2025]

Size: 17.1 MB - Last synced at: 22 days ago - Pushed at: 22 days ago - Stars: 3 - Forks: 0

fendss/Papers-Reading

A series of papers that might be helpful for research.

Language: HTML - Size: 167 MB - Last synced at: 27 days ago - Pushed at: 27 days ago - Stars: 2 - Forks: 0

Xiaoyang878/GGFlow

GGFlow: A Graph Flow Matching Method with Efficient Optimal Transport (TMLR 2025)

Size: 3.91 KB - Last synced at: 27 days ago - Pushed at: 28 days ago - Stars: 0 - Forks: 0

OSU-NLP-Group/AutoSDT

AutoSDT is a fully automatic pipeline to collect data-driven scientific coding tasks to train co-scientist models.

Language: Python - Size: 4.25 MB - Last synced at: 29 days ago - Pushed at: 29 days ago - Stars: 10 - Forks: 0

IntelliGen-AI/IntelliFold

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

Language: Python - Size: 11 MB - Last synced at: 22 days ago - Pushed at: about 2 months ago - Stars: 130 - Forks: 14

poyentung/baosa

Benchmark suite for active optimisation in scientific discovery, featuring standardised tasks in materials science and biology

Language: Python - Size: 4.2 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 5 - Forks: 0

deep-symbolic-mathematics/LLM-SR

[ICLR 2025 Oral] This is the official repo for the paper "LLM-SR" on Scientific Equation Discovery and Symbolic Regression with Large Language Models

Language: Python - Size: 8.79 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 152 - Forks: 24

deep-symbolic-mathematics/llm-srbench

[ICML2025 Oral] LLM-SRBench: A New Benchmark for Scientific Equation Discovery with Large Language Models

Language: Python - Size: 1.23 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 61 - Forks: 5

haozhg/oml

AI4Science: Efficient data-driven Online Model Learning (OML) / system identification and control

Language: Python - Size: 1.22 MB - Last synced at: about 1 month ago - Pushed at: almost 3 years ago - Stars: 31 - Forks: 6

zhaorui-bi/OUC-HW-Survial-Guidance

OUC&HW计科中外“宝宝”👶生存指南

Language: Verilog - Size: 5.21 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 14 - Forks: 2

StarMoonWang/SeisMoLLM

Official Pytorch Implementation of SeisMoLLM: Advancing Seismic Monitoring via Cross-modal Transfer with Pre-trained Large Language Model

Language: Python - Size: 129 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 8 - Forks: 3

ai4ce/GARF

[ICCV2025] GARF: Learning Generalizable 3D Reassembly for Real-World Fractures

Language: Python - Size: 121 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 63 - Forks: 7

ZIB-IOL/neural-discovery-icml25

Code to reproduce the experiments of the ICML25-paper: "Neural Discovery in Mathematics: Do Machines Dream of Colored Planes?"

Language: Python - Size: 4.23 MB - Last synced at: about 1 month ago - Pushed at: 3 months ago - Stars: 2 - Forks: 0

artificial-scientist-lab/SciMuse

Interesting Scientific Idea Generation Using Knowledge Graphs and LLMs: Evaluations with 100 Research Group Leaders

Language: Python - Size: 11.2 MB - Last synced at: about 1 month ago - Pushed at: 7 months ago - Stars: 24 - Forks: 3

amair-lab/PiFlow

[preprint] PiFlow: Principle-aware Scientific Discovery with Multi-Agent Collaboration

Language: Python - Size: 17.3 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 22 - Forks: 2

intell-sci-comput/PSE

Official PyTorch implementation of PSE/PSRN: Fast and efficient symbolic expression discovery through parallelized symbolic enumeration. Evaluates millions of expressions simultaneously on GPU with automated subtree reuse.

Language: Python - Size: 60.5 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 18 - Forks: 4

LucaOne/LucaOne

The resources of LucaOne, including: the model code, training scripts, embedding inference code, and trained checkpoints.

Language: Python - Size: 15.3 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 283 - Forks: 31

baaihealth/opi

This repo is for the Open Protein Instructions (OPI) project, aiming to build and release a high-quality and comprehensive protein instruction dataset with which LLMs can be adapted to protein-related tasks via instruction tuning and evaluated on these tasks.

Language: Python - Size: 52.2 MB - Last synced at: 5 days ago - Pushed at: 6 months ago - Stars: 6 - Forks: 0

OSU-NLP-Group/ChemMCP

A Chemistry Toolkit that turns your AI assistant into a Chemistry coscientist..

Language: Python - Size: 193 MB - Last synced at: 2 months ago - Pushed at: 3 months ago - Stars: 32 - Forks: 1

Rqcker/eai2024

Topic Modelling Research in the Digital Circular Electrochemical Economy Project (🔋 Energy and AI Journal 🤖)

Language: Jupyter Notebook - Size: 1.54 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 6 - Forks: 0

AI-14/pkatransnet

[IVC 2025] [Official code] - Enhancing radiology report generation: A prior knowledge-aware transformer network for effective alignment and fusion of multi-modal radiological data

Language: Python - Size: 4.42 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 1

wengroup/camp_run

Cartesian Atomic Moment Potentials -- CAMP

Language: Python - Size: 77.4 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 4 - Forks: 0

wengroup/camp

Cartesian Atomic Moment Potentials -- CAMP

Language: Python - Size: 66.4 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 7 - Forks: 1

AlexDuvalinho/geometric-gnns

List of Geometric GNNs for 3D atomic systems

Size: 4.87 MB - Last synced at: 3 months ago - Pushed at: over 1 year ago - Stars: 109 - Forks: 6

psetinek/simshift

SIMSHIFT: A Benchmark for Adapting Neural Surrogates to Distribution Shifts

Language: Jupyter Notebook - Size: 831 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 3 - Forks: 0

coderonion/awesome-ai4science

This repository lists some awesome public projects about AI4Science.

Size: 0 Bytes - Last synced at: 8 days ago - Pushed at: 5 months ago - Stars: 2 - Forks: 0

OSU-NLP-Group/LLM4Chem

Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"

Language: Python - Size: 130 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 87 - Forks: 13

zjunlp/ChatCell

ChatCell: Facilitating Single-Cell Analysis with Natural Language

Language: Python - Size: 17 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 50 - Forks: 10

junfeng-chen/position_induced_transformer

PyTorch implemention of the Position-induced Transformer for operator learning in partial differential equations

Language: Python - Size: 5.47 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 20 - Forks: 1

cjpcool/Metamaterial-Benchmark

MetamatBench: Integrating Heterogeneous Data, Computational Tools, and Visual Interface for Metamaterial Discovery

Language: Python - Size: 90.6 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 4 - Forks: 0

DaoyuanLi2816/Molecule-Generator

Variational Autoencoder (VAE)-based molecular SMILES string generator

Language: Python - Size: 617 KB - Last synced at: 2 days ago - Pushed at: 5 months ago - Stars: 12 - Forks: 4

aidayang/MinerU-OneClick

MinerU免安装部署一键启动整合包

Size: 49.8 KB - Last synced at: about 2 months ago - Pushed at: 6 months ago - Stars: 10 - Forks: 2

zjunlp/NLP4SciencePapers

Must-read papers on NLP for science.

Size: 74.2 KB - Last synced at: 3 months ago - Pushed at: about 2 years ago - Stars: 58 - Forks: 5

michael-s-yao/DynAMO

Official Implementation for "Diversity By Design: Leveraging Distribution Matching for Offline Model-Based Optimization" accepted to ICML 2025

Language: Python - Size: 3.81 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

Graph-COM/HEPT

[ICML 2024 Oral] LSH-Based Efficient Point Transformer (HEPT)

Language: Python - Size: 3.24 MB - Last synced at: about 1 month ago - Pushed at: 8 months ago - Stars: 20 - Forks: 8

chiang-yuan/llamp

A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai

Language: Jupyter Notebook - Size: 13.7 MB - Last synced at: 4 months ago - Pushed at: 11 months ago - Stars: 82 - Forks: 13

AngxiaoYue/ReQFlow

[ICML 2025] 🧬 ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation

Language: Python - Size: 75.9 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 75 - Forks: 5

patrick-tssn/Awesome-Colorful-LLM

Recent advancements propelled by large language models (LLMs), encompassing an array of domains including Vision, Audio, Agent, Robotics, Fundamental Sciences such as Mathematics, and Ominous.

Size: 937 KB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 121 - Forks: 8

garywei944/ChemFlow

Uncover meaningful structures of latent spaces learned by generative models with flows!

Language: Python - Size: 4.75 MB - Last synced at: 22 days ago - Pushed at: over 1 year ago - Stars: 42 - Forks: 9

HaibinLai/APAC-HPC-AI-2024-SUSTech-0x01

APAC 2024 SUSTech 0x01 Team Repo

Language: C++ - Size: 306 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 4 - Forks: 0

chao1224/ProteinDT

A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)

Language: Python - Size: 19.4 MB - Last synced at: 4 months ago - Pushed at: 8 months ago - Stars: 75 - Forks: 5

artificial-scientist-lab/Impact4Cast

Forecasting high-impact research topics via machine learning on evolving knowledge graphs

Language: Python - Size: 7.16 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 29 - Forks: 6

PKU-YuanGroup/TaxDiff

The official code for "TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation"

Language: Python - Size: 3.53 MB - Last synced at: 4 months ago - Pushed at: about 1 year ago - Stars: 66 - Forks: 10

x66ccff/liveideabench

🤖💡 LiveIdeaBench: Evaluating LLMs' Scientific Creativity and Idea Generation with Minimal Context

Language: Jupyter Notebook - Size: 41.1 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 11 - Forks: 1

HongxinXiang/awesome-ai-bioinformatics

A curated list of awesome AI and Bioinformatics.

Size: 1.27 MB - Last synced at: 4 days ago - Pushed at: over 2 years ago - Stars: 45 - Forks: 14

Liu-Hy/GenoTEX

GenoTEX: An expert-curated benchmark for LLM agentic methods in automated gene expression data analysis.

Language: Jupyter Notebook - Size: 115 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 16 - Forks: 0

JieZheng-ShanghaiTech/KG4SL

Synthetic lethality (SL) is a promising gold mine for the discovery of anti-cancer drug targets. KG4SL is the first graph neural network (GNN)-based model that uses knowledge graph for SL prediction.

Language: Python - Size: 30.2 MB - Last synced at: 4 months ago - Pushed at: about 2 years ago - Stars: 33 - Forks: 13

OUC-PKU-THU/best-practice-for-ai4s

best practice for ai4s

Size: 0 Bytes - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0

osu-srml/DroughtSet

Dataset and implementation of DroughtSet: Understanding Drought through Spatial-Temporal Learning

Language: Python - Size: 26.4 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 4 - Forks: 0

davendw49/k2

Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024

Language: Python - Size: 29.4 MB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 188 - Forks: 18

RenzeLou/AAAR-1.0

The source code for running LLMs on the AAAR-1.0 benchmark.

Language: Python - Size: 172 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 16 - Forks: 0

ai4ce/LUWA

[CVPR 2024 Highlight] The first benchmark for lithic use-wear analysis leveraging SOTA vision and vision-language models (DINOv2, GPT-4V), demonstrating AI performance surpassing that of expert archaeologists.

Language: Jupyter Notebook - Size: 10.7 MB - Last synced at: 5 months ago - Pushed at: 6 months ago - Stars: 4 - Forks: 0

chatsci/Aeiva

A general AI agent framework that can be adapted to various tasks and environments.

Language: Python - Size: 85.8 MB - Last synced at: 5 months ago - Pushed at: 7 months ago - Stars: 100 - Forks: 16

lamm-mit/Graph-Aware-Transformers

Graph-Aware Attention for Adaptive Dynamics in Transformers

Language: Python - Size: 146 KB - Last synced at: 5 months ago - Pushed at: 8 months ago - Stars: 55 - Forks: 5

dzjxzyd/UniDL4BioPep

webserver

Language: Jupyter Notebook - Size: 267 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 23 - Forks: 5

KehanGuo2/MolPuzzle

[NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation

Language: Python - Size: 23.1 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 11 - Forks: 0

EureKaZhu/DiffAffinity

Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)

Language: Jupyter Notebook - Size: 5.29 MB - Last synced at: 6 months ago - Pushed at: over 1 year ago - Stars: 32 - Forks: 3

HongxinXiang/ImageMol

ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.

Language: Python - Size: 151 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 51 - Forks: 26

Lumen-Laboratory/sciencefactory.it.com

Science factory.

Size: 0 Bytes - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0

shizhao/ai4chem

AI for Chemistry collection

Size: 6.84 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 0 - Forks: 0

Parity-LRX/Parity

Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor

Language: Python - Size: 646 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 15 - Forks: 1

terencetaothucb/TBSI-Sunwoda-Battery-Dataset

Sunwoda Electronic Co., Ltd, and Tsinghua Berkeley Shenzhen Institute (TBSI) generate the TBSI Sunwoda Battery Dataset. We open-source this dataset to inspire more data-driven novel material verification, battery management research and applications.

Language: MATLAB - Size: 21.6 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 31 - Forks: 0

HowardLi1984/ECDFormer

【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction

Language: Python - Size: 102 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 38 - Forks: 0

linhaowei1/MolRetrieval

This repo implements many methods to retrieve molecules that are similar to a target molecule from a large molecule corpus.

Language: Python - Size: 36.1 KB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 0

jaeminoh/awesome-numerical-weather-prediction

Curated list of papers and resources focused on numerical weather prediction.

Language: TeX - Size: 595 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 0 - Forks: 0

Alapipapi/MinerU Fork of opendatalab/MinerU

A high-quality tool for convert PDF to Markdown and JSON.一站式开源高质量数据提取工具，将PDF转换成Markdown和JSON格式。

Language: Python - Size: 103 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 0