SciML/SciMLBenchmarks.jl

Scientific machine learning (SciML) benchmarks, AI for science, and (differential) equation solvers. Covers Julia, Python (PyTorch, Jax), MATLAB, R

Language: MATLAB - Size: 186 MB - Last synced at: 1 day ago - Pushed at: 8 days ago - Stars: 327 - Forks: 93

zjunlp/Mol-Instructions

[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models

Language: Python - Size: 16.5 MB - Last synced at: 7 days ago - Pushed at: 7 months ago - Stars: 274 - Forks: 16

atomicarchitects/equiformer_v2

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

Language: Python - Size: 7.64 MB - Last synced at: about 2 months ago - Pushed at: 3 months ago - Stars: 254 - Forks: 35

jaychempan/Awesome-LWMs

🌍 A Collection of Awesome Large Weather Models (LWMs) | AI for Earth (AI4Earth) | AI for Science (AI4Science)

Size: 168 KB - Last synced at: 7 days ago - Pushed at: 17 days ago - Stars: 252 - Forks: 30

atomicarchitects/equiformer

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

Language: Python - Size: 3.95 MB - Last synced at: 20 days ago - Pushed at: 3 months ago - Stars: 233 - Forks: 44

snap-stanford/POPPER

Automated Hypothesis Testing with Agentic Sequential Falsifications

Language: Python - Size: 26.8 MB - Last synced at: 16 days ago - Pushed at: 28 days ago - Stars: 182 - Forks: 17

black-yt/WeatherGFT

[NeurIPS'24] Generalizing Weather Forecast to Fine-grained Temporal Scales via Physics-AI Hybrid Modeling

Language: Python - Size: 18.9 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 177 - Forks: 15

guanjq/targetdiff

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

Language: Python - Size: 10.5 MB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 163 - Forks: 26

blazerye/DrugAssist

[Briefings In Bioinformatics] DrugAssist: A Large Language Model for Molecule Optimization

Language: Python - Size: 7.03 MB - Last synced at: 14 days ago - Pushed at: about 2 months ago - Stars: 129 - Forks: 13

deepmodeling/AI4Science101

AI for Science

Language: Python - Size: 1.36 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 90 - Forks: 15

Just-Curieous/Curie

❓Curie: Automated and Rigorous Scientific Experimentation with AI Agents

Language: Python - Size: 3.28 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 87 - Forks: 11

alibaba/graph-gpt

Generative Pre-trained Graph Eulerian Transformer [ICML2025]

Language: Python - Size: 4.64 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 81 - Forks: 5

VarunUllanat/mint

Learning the language of protein-protein interactions

Language: Python - Size: 3.6 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 69 - Forks: 5

microsoft/automated-brain-explanations

Generating and validating natural-language explanations for the brain.

Language: Jupyter Notebook - Size: 1.06 GB - Last synced at: 2 days ago - Pushed at: about 2 months ago - Stars: 52 - Forks: 6

NERSC/sc23-dl-tutorial

SC23 Deep Learning at Scale Tutorial Material

Language: Python - Size: 15.7 MB - Last synced at: 11 days ago - Pushed at: 8 months ago - Stars: 44 - Forks: 9

Neural-Litho/Neural-Lithography

Official implementation of Neural Lithography (SIGGRAPH Asia 2023)

Language: Python - Size: 11.5 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 30 - Forks: 4

sherrylixuecheng/awesome-ai4chem

Awesome AI for chemistry papers

Size: 246 KB - Last synced at: 11 days ago - Pushed at: about 2 years ago - Stars: 29 - Forks: 3

Rose-STL-Lab/spherical-dyffusion

[NeurIPS 24] Probablistic Emulation of a Global Climate Model with Spherical DYffusion

Language: Python - Size: 337 KB - Last synced at: about 1 month ago - Pushed at: 3 months ago - Stars: 26 - Forks: 0

rmovva/HypotheSAEs

Hypothesizing interpretable relationships in text datasets using sparse autoencoders.

Language: Jupyter Notebook - Size: 11.5 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 24 - Forks: 2

zjunlp/InstructCell

A Multi-Modal AI Copilot for Single-Cell Analysis with Instruction Following

Language: Jupyter Notebook - Size: 10.7 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 19 - Forks: 0

chemgymrl/chemgymrl

Language: Jupyter Notebook - Size: 44.2 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 19 - Forks: 5

x66ccff/liveideabench

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

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

Mengqi97/chinese-medical-dataset

[updating] Chinese Medical Dataset 致力于详细整理所有现有中文医学数据集，包括详细的数据汇总、数据示例、下载链接等。

Size: 2.12 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 8 - Forks: 3

mims-harvard/Phyla

Phyla: Towards a Foundation Model for Phylogenetic Inference

Language: Python - Size: 15.3 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 7 - Forks: 1

Tsumugii24/lesion-cells-det

Multi-granularity Lesion Cells Object Detection based on deep neural network

Language: Python - Size: 298 MB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 0

VectorInstitute/AtomGen

Library for handling atomistic graph datasets focusing on transformer-based implementations, with utilities for training various models, experimenting with different pre-training tasks, and a suite of pre-trained models with huggingface integrations

Language: Python - Size: 1.33 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 5 - Forks: 0

MoleculeAI/TAGMol

TAGMol: Target-Aware Gradient-guided Molecule Generation

Language: Python - Size: 3.72 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 4 - Forks: 0

Grenzlinie/awesome-ai4ms-paper-and-websites

This repository is a collection of my thoughts, summaries, and reflections on literature, websites, and tutorials that explore the intersection of materials science and artificial intelligence.

Size: 57.6 KB - Last synced at: 19 days ago - Pushed at: 2 months ago - Stars: 3 - Forks: 1

deepbiolab/deepbiolab.github.io

DeepBioLab is an AI-focused platform designed to explore, build, and share advanced AI algorithms. It features educational content, projects, and research on topics like deep learning, reinforcement learning, and more. Dive into algorithms, develop from scratch, and discover solutions to science problems.

Language: HTML - Size: 90.7 MB - Last synced at: about 2 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0

abari111/dr-eye

Dr Eye: automatic retinopathy detection system

Language: Jupyter Notebook - Size: 10.8 MB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0