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:
- ☆45Updated last week
- Atomistic simulation hands on tutorial on Matlantis☆59Updated 2 months ago
- XenonPy is a Python Software for Materials Informatics☆145Updated last year
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆84Updated 11 months ago
- 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
- CrySPY is a crystal structure prediction tool written in Python.☆140Updated 3 weeks ago
- Automated crystal structure analysis based on blackbox optimisation☆33Updated last year
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Updated last year
- ☆16Updated 3 years ago
- A python library for calculating materials properties from the PES☆125Updated this week
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- COMBO for Python 3☆34Updated 2 years ago
- ab-Initio Configuration Sampling tool kit (abICS)☆18Updated 3 weeks ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- ☆29Updated 3 years ago
- Predict materials properties using only the composition information!☆112Updated 2 years ago
- Collection of tutorials to use the MACE machine learning force field.☆48Updated last year
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆28Updated 3 months ago
- MACE_Osaka24 models☆20Updated 10 months ago
- ☆34Updated last year
- Live Debian GNU/Linux System for MateriApps Applications☆57Updated 3 weeks ago
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 7 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆35Updated 2 years ago
- Alchemical machine learning interatomic potentials☆31Updated 11 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆32Updated 3 months ago
- Sparse Gaussian Process Potentials☆28Updated last month