Unlimited-Research-Cooperative/Android-HASEL

Perfectly realistic android, down to the last detail. Uses HASEL actuators as biomimetic musculature, internal AI for physical, and external AI for conversational

Size: 25.6 MB - Last synced: 5 days ago - Pushed: 5 days ago - Stars: 1 - Forks: 0

KIST-CSRC/BespokeSynthesisPlatform

Bespoke Nanoparticle Synthesis and Chemical Knowledge Discovery Via Autonomous Experimentations

Language: Python - Size: 262 MB - Last synced: 5 days ago - Pushed: 6 days ago - Stars: 2 - Forks: 0

BlueQuartzSoftware/simplnx

The backend algorithms and framework associated with DREAM3DNX, a data analysis program for materials science data analytics

Language: C++ - Size: 139 MB - Last synced: 5 days ago - Pushed: 6 days ago - Stars: 6 - Forks: 9

drcassar/glasspy

Python module for scientists working with glass materials

Language: Python - Size: 295 MB - Last synced: 9 days ago - Pushed: 9 days ago - Stars: 23 - Forks: 7

MI-FraunhoferIWM/dsms-python-sdk

Python SDK core-package for working with the DataSpace Management System (DSMS)

Language: Python - Size: 1.43 MB - Last synced: 11 days ago - Pushed: 11 days ago - Stars: 1 - Forks: 0

MehrdadJalali-KIT/LLM-ELN

Integrating LLMs with ELNs to transform materials science research at KIT, enhancing data management and accelerating scientific innovation.

Language: Jupyter Notebook - Size: 1.89 MB - Last synced: 12 days ago - Pushed: 13 days ago - Stars: 1 - Forks: 0

kjappelbaum/gptchem

Language: Jupyter Notebook - Size: 174 MB - Last synced: 12 days ago - Pushed: about 1 month ago - Stars: 208 - Forks: 39

dftfeDevelopers/dftfe

DFT-FE: Real-space DFT calculations using Finite Elements

Language: C++ - Size: 82.4 MB - Last synced: 24 days ago - Pushed: 24 days ago - Stars: 101 - Forks: 32

rshkarin/quanfima

Quanfima (Quantitative Analysis of Fibrous Materials)

Language: Python - Size: 4.55 MB - Last synced: 20 days ago - Pushed: 4 months ago - Stars: 28 - Forks: 16

mushroomfire/mdapy

A simple and fast python library to handle the data generated from molecular dynamics simulations

Language: Python - Size: 61.3 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 39 - Forks: 3

boschresearch/pylife

a general library for fatigue and reliability

Language: Python - Size: 20.5 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 122 - Forks: 24

KIST-CSRC/Octopus

Opeartion Control system for Task Optimization and job Parallelization with User-optimal Schedulers

Language: Python - Size: 16.2 MB - Last synced: about 1 month ago - Pushed: 2 months ago - Stars: 0 - Forks: 0

CompRhys/aviary

The Wren sits on its Roost in the Aviary.

Language: Python - Size: 29.5 MB - Last synced: 15 days ago - Pushed: about 2 months ago - Stars: 43 - Forks: 10

cp-paw/cp-paw

Main repository for the CP-PAW code

Language: Fortran - Size: 41 MB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 11 - Forks: 6

cp2k/cp2k

Quantum chemistry and solid state physics software package

Language: Fortran - Size: 239 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 749 - Forks: 353

rouyang2017/SISSO

A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.

Language: Fortran - Size: 2.12 MB - Last synced: about 2 months ago - Pushed: 9 months ago - Stars: 212 - Forks: 71

romankempt/hetbuilder

Builds 2D heterostructures via coincidence lattice theory.

Language: Python - Size: 1020 KB - Last synced: about 1 month ago - Pushed: 6 months ago - Stars: 10 - Forks: 5

Liam-Deacon/phaseshifts

Calculate elastic electron atom scattering (EEAS) phase shifts in solid materials for LEED modelling

Language: Assembly - Size: 3.98 MB - Last synced: 7 days ago - Pushed: 7 days ago - Stars: 3 - Forks: 1

bezborodow/stress-strain

Instron Stress-strain Plot with GNU Octave (MATLAB-compatible.)

Language: MATLAB - Size: 7.07 MB - Last synced: 3 months ago - Pushed: 3 months ago - Stars: 0 - Forks: 0

odarbelaeze/vegas-lattice-rs

Lattice generator library and tool in rust.

Language: Rust - Size: 143 KB - Last synced: about 1 month ago - Pushed: 3 months ago - Stars: 8 - Forks: 1

pylada/pylada-light

A physics computational framework for python and ipython

Language: Python - Size: 6.28 MB - Last synced: 2 months ago - Pushed: 8 months ago - Stars: 38 - Forks: 22

lpolerecky/LANS

A MATLAB-based program for processing and analysis of nanoSIMS data

Language: MATLAB - Size: 61 MB - Last synced: about 1 month ago - Pushed: 3 months ago - Stars: 3 - Forks: 0

mecheng/mechmat

Python package for the definition of materials used during mechanical engineering calculations

Language: Python - Size: 105 KB - Last synced: 18 days ago - Pushed: over 1 year ago - Stars: 3 - Forks: 3

shahabafshar/POSCAR3D

POSCAR3D is a 3D visualization tool for POSCAR files, offering realistic atom rendering based on van der Waals radii. Developed for researchers and students, it provides an interactive way to explore molecular structures with ease.

Language: Python - Size: 1.97 MB - Last synced: 4 months ago - Pushed: 6 months ago - Stars: 1 - Forks: 0

karel66/DPS61

Language: Pascal - Size: 319 KB - Last synced: 7 months ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0

lab-mids/matnexus

MatNexus is an end-to-end software for the automated collection and analysis of scientific articles' text, streamlining literature retrieval and offering powerful visualization and machine learning capabilities for material science research.Scientific literature processing for Materials Science

Language: HTML - Size: 11.2 MB - Last synced: 7 months ago - Pushed: 7 months ago - Stars: 0 - Forks: 0

KIST-CSRC/DenseSSD

Machine vision for vial positioning detection toward the safe automation of material synthesis

Language: Python - Size: 176 MB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 5 - Forks: 0

ViolaFerretti/Thermoelectric_Materials

Software to study the performance of thermoelectric materials.

Language: Python - Size: 710 KB - Last synced: 4 months ago - Pushed: 6 months ago - Stars: 0 - Forks: 0

Peter-T-Ruehr/stack_cropping

ImageJ/Fiji macro that crops any given image stack without having to load it into memory first.

Language: ImageJ Macro - Size: 95.7 KB - Last synced: 7 months ago - Pushed: 10 months ago - Stars: 0 - Forks: 1

fspiga/qe-gpu

GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

Language: Fortran - Size: 163 MB - Last synced: 7 months ago - Pushed: over 4 years ago - Stars: 53 - Forks: 20

heliphix/metal_foams

This repository contains the Python code for generating the (ABAQUS Explicit v6.14) CAE files associated with the research paper titled "Nature-Inspired Cellular Structure Design for Electric Vehicle Battery Compartment: Application to Crashworthiness" with doi:10.3390/app10134532

Language: Python - Size: 269 MB - Last synced: 7 months ago - Pushed: over 3 years ago - Stars: 1 - Forks: 1

KIST-CSRC/BatchSynthesisModule

Code to execute hardware of Batch Synthesis Module

Language: Python - Size: 25.9 MB - Last synced: 7 months ago - Pushed: 7 months ago - Stars: 0 - Forks: 0

KIST-CSRC/UV-VisModule

Code to execute hardware of UV-Vis Module

Language: Python - Size: 128 MB - Last synced: 7 months ago - Pushed: 7 months ago - Stars: 0 - Forks: 0

Neelfrost/microstructure-mas

Microstructure Modeling and Simulation. Generate microstructures using site-saturation condition, and simulate grain growth using Monte Carlo Potts Model.

Language: Python - Size: 169 KB - Last synced: 4 months ago - Pushed: over 1 year ago - Stars: 2 - Forks: 0

BlueQuartzSoftware/DREAM3DNX-Issues

A place for the DREAM3D community to interact with one another and the developers

Size: 12.7 KB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

ineporozhnii/pdos_gnn

Graph Neural Network for Projected Density of States Prediction

Language: Python - Size: 30 MB - Last synced: 5 months ago - Pushed: 5 months ago - Stars: 0 - Forks: 0

mgrady3/pLEASE-legacy 📦

python Low Energy Electron Analysis SuitE

Language: Python - Size: 4.39 MB - Last synced: 8 months ago - Pushed: almost 7 years ago - Stars: 3 - Forks: 2

kenieveges/Korobov_YouTube

Main repository of YouTube channel.

Language: Jupyter Notebook - Size: 28.3 MB - Last synced: 9 months ago - Pushed: 9 months ago - Stars: 0 - Forks: 0

dtht2d/bispectrum_component

Compute Local Atomic Descriptors for Predictive Electronic Structure

Language: Jupyter Notebook - Size: 276 MB - Last synced: 10 months ago - Pushed: 10 months ago - Stars: 0 - Forks: 0

CaryRock/Mirror-Neutron-Density-Evolution

This repo contains the Fortran implementation of Y. Kamyshkov, J. Ternullo, L. Varriano, and Z. Berezhiani's paper on neutron-mirror neutron oscillations in absorbing matter (https://doi.org/10.3390/sym14020230).

Language: Roff - Size: 42 MB - Last synced: 10 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

ju-leon/bachelor-thesis

Analysing the influence of the spacial structure of catalyst molecules on their activation barrier using neural networks.

Language: Jupyter Notebook - Size: 140 MB - Last synced: 5 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 1

shuix007/EIP4NNPotentials

Code and experiments accompanying our paper Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties at NeurIPS 2022

Language: Python - Size: 109 KB - Last synced: 7 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

hothello/openmodel

Use Case for the OpenModel project

Language: Perl - Size: 75.4 MB - Last synced: 4 months ago - Pushed: over 1 year ago - Stars: 2 - Forks: 1

dominikusbrian/MyMD

Integrated Console for Molecular Simulations

Language: C++ - Size: 7.69 MB - Last synced: 28 days ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0

santoshkumarradha/pseudo-spin-perovskite

Calculating the pseudo spin phase transition in metal halide perovskites

Language: Julia - Size: 33.8 MB - Last synced: about 1 month ago - Pushed: over 3 years ago - Stars: 1 - Forks: 2

lukas-koschmieder/micress-ipynb

Plot MICRESS data with Python (gnuplot, Matplotlib, Plotly)

Language: Jupyter Notebook - Size: 3.18 MB - Last synced: 7 months ago - Pushed: almost 4 years ago - Stars: 1 - Forks: 0

lfoppiano/superconductor-extraction-paper-ieice2019

Source of the short paper titled "Proposal of Automatic Extraction Framework of Superconductors related Information from Scientific literature"

Language: TeX - Size: 3.87 MB - Last synced: about 1 month ago - Pushed: over 4 years ago - Stars: 0 - Forks: 1

4m4n5/B.Tech-Project

Language: Jupyter Notebook - Size: 123 MB - Last synced: 2 months ago - Pushed: almost 7 years ago - Stars: 1 - Forks: 1

aflahelouneg/MARSAC

MARSAC (Multi-Axial Ring Suction for Anistortopy Characterization) is a framework that identifis material parameters of soft material from experimental data acquired in an annular suction test.

Language: Python - Size: 239 MB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 0 - Forks: 0

NabKh/DFT_Python-Tools

Density functional theory: Quantum Espresso & Projected Electronic Band Structure

Language: Python - Size: 22.3 MB - Last synced: 8 months ago - Pushed: over 3 years ago - Stars: 2 - Forks: 0

OpenChemistry/materialsdatabank

An information portal for 3D atomic electron tomography data

Language: JavaScript - Size: 1.11 MB - Last synced: 26 days ago - Pushed: 11 months ago - Stars: 7 - Forks: 3

nlesc-nano/swan

Statistical models to predict new materials

Language: Python - Size: 152 MB - Last synced: 12 months ago - Pushed: about 1 year ago - Stars: 13 - Forks: 1

Marcelaus98/CfC-for-Material-Science

Research on Material Science using Neural Networks black box approach

Language: Python - Size: 43.7 MB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

Gressling/examples

Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020

Language: Jupyter Notebook - Size: 939 KB - Last synced: 12 months ago - Pushed: over 2 years ago - Stars: 14 - Forks: 16

hitarth64/ReactionEnergyDiagram

Tool to draw reaction energy diagrams, reaction energies and reaction energetics using Python and matplotlib

Language: Python - Size: 290 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

mdavezac/Crystals.jl

Atomic crystal structures for Julia

Language: Julia - Size: 265 KB - Last synced: about 1 year ago - Pushed: almost 6 years ago - Stars: 19 - Forks: 4

mcsorkun/V2DB

V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.

Language: Python - Size: 15.6 MB - Last synced: about 1 year ago - Pushed: almost 4 years ago - Stars: 5 - Forks: 1

alesgenova/pbcpy 📦

Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy

Language: Python - Size: 22.5 MB - Last synced: about 1 year ago - Pushed: over 3 years ago - Stars: 19 - Forks: 1

michael-hoon/FDTD-Simulation

SUTD SHARP Research Project on the computational modelling of the interaction between a gaussian beam source and a pseudo-silicon material with a single Lorentzian resonant frequency. Uses the open-source library meep.

Language: Python - Size: 800 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

JacobK233811/properplotter

An interactive web app for bioplastic material properties data. We plot material properties for bioplastics properly

Language: JavaScript - Size: 357 KB - Last synced: about 1 year ago - Pushed: over 3 years ago - Stars: 3 - Forks: 0

numericalEFT/QuantumMaterials.jl

Numerical effective field theory approach to quantum materials.

Language: Jupyter Notebook - Size: 443 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

materials-commons/materialscommons.org

The Materials Commons website

Language: JavaScript - Size: 123 MB - Last synced: 3 months ago - Pushed: over 1 year ago - Stars: 10 - Forks: 1

Omar-Elrefaei/small-projects

Scripts I wrote for various reasons, from lab reports to web scraping.

Language: Julia - Size: 14.6 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0

vijaypurohit/wien2k

This provides the files needed and detailed process (instructions) to install the wien2k 14.2 in Linux.

Language: Shell - Size: 11.6 MB - Last synced: 4 months ago - Pushed: almost 5 years ago - Stars: 3 - Forks: 1

ealcobaca/alchemist-ai

The Alchemist uses a pool of optimization algorithms and machine learning models to search for viable glass compositions for a given glass transition temperature (Tg) value.

Language: Python - Size: 12.3 MB - Last synced: about 1 year ago - Pushed: over 2 years ago - Stars: 2 - Forks: 1

ealcobaca/mlglass

We share in this repository some codes and data used during our research about glass property prediction and the design of new glasses.

Language: Jupyter Notebook - Size: 928 MB - Last synced: 11 months ago - Pushed: over 2 years ago - Stars: 2 - Forks: 1

Top34051/foundry-model

Predict molecular chemical properties using deep learning model

Language: Jupyter Notebook - Size: 45 MB - Last synced: about 1 year ago - Pushed: almost 3 years ago - Stars: 2 - Forks: 1

abhishekchavannn/Composition_prediction

Using the regression models in a real thermodynamic system. We have applied two supervised algorithms, Linear regression, and K-Nearest Neighbors to predict the composition values at various eta values.

Language: Jupyter Notebook - Size: 87.9 KB - Last synced: about 1 year ago - Pushed: almost 3 years ago - Stars: 1 - Forks: 0

marcosdelcueto/MachineLearning_AcceptorDonor

Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors

Language: Python - Size: 1.71 MB - Last synced: 4 months ago - Pushed: about 1 year ago - Stars: 4 - Forks: 3

CederGroupHub/text2chem

RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.

Language: Python - Size: 43 KB - Last synced: about 1 year ago - Pushed: almost 3 years ago - Stars: 3 - Forks: 2

cc4s/test-resources

MIRROR of https://gitlab.cc4s.org/cc4s/test-resources GO THERE FOR CONTRIBUTIONS

Language: Shell - Size: 344 MB - Last synced: about 1 year ago - Pushed: over 2 years ago - Stars: 1 - Forks: 1

algomaster99/meta-btp

Analysis of Work Hardening Behavior

Language: Jupyter Notebook - Size: 12.9 MB - Last synced: about 1 year ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

ealcobaca/alchemist-web

A Web-based platform for Alchemist. The Alchemist uses a pool of optimization algorithms and machine learning models to search for viable glass compositions for a given glass transition temperature (Tg) value.

Language: TypeScript - Size: 237 MB - Last synced: about 1 year ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

souradip93/material-science-dtector

Material Science Predictor

Language: Python - Size: 3.64 MB - Last synced: about 1 year ago - Pushed: almost 2 years ago - Stars: 1 - Forks: 0

daniel-furman/ice-densification-research

All data and analyses to reproduce my ice material science research, as published in Penn Science: Furman and Goldsby, 2021.

Language: Jupyter Notebook - Size: 7.07 MB - Last synced: about 1 year ago - Pushed: about 3 years ago - Stars: 0 - Forks: 0