mjrs33 / paperLinks
☆27Updated 3 years ago
Alternatives and similar repositories for paper
Users that are interested in paper are comparing it to the libraries listed below
Sorting:
- Atomistic simulation hands on tutorial on Matlantis☆62Updated 4 months ago
- ☆46Updated this week
- XenonPy is a Python Software for Materials Informatics☆147Updated last year
- CrySPY is a crystal structure prediction tool written in Python.☆144Updated 2 months ago
- Automated crystal structure analysis based on blackbox optimisation☆34Updated last year
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆88Updated last year
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆17Updated last year
- Graph neural network potential with charge transfer☆36Updated 3 years ago
- MACE_Osaka24 models☆23Updated 11 months ago
- A python library for calculating materials properties from the PES☆127Updated this week
- Original implementation of CSPML☆29Updated 11 months ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆224Updated this week
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Predict materials properties using only the composition information!☆117Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- ab-Initio Configuration Sampling tool kit (abICS)☆18Updated last month
- Crystal graph convolutional neural networks for predicting material properties.☆34Updated 3 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated 4 months ago
- ☆108Updated last week
- ☆16Updated 3 years ago
- 「機械学習による分子最適化」のサポートページ☆12Updated last year
- PySCFのチュートリアルです。☆12Updated 5 months ago
- PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization☆83Updated 2 weeks ago
- ☆109Updated 2 years ago
- Representation Learning from Stoichiometry☆59Updated 3 years ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆72Updated last month
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Updated 3 years ago
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆204Updated 2 weeks ago
- Live Debian GNU/Linux System for MateriApps Applications☆57Updated 2 months ago