yoshida-lab / XenonPyLinks
XenonPy is a Python Software for Materials Informatics
☆141Updated 10 months ago
Alternatives and similar repositories for XenonPy
Users that are interested in XenonPy are comparing it to the libraries listed below
Sorting:
- Atomistic simulation hands on tutorial on Matlantis☆47Updated 6 months ago
- CrySPY is a crystal structure prediction tool written in Python.☆129Updated last year
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆177Updated 4 months ago
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- ☆39Updated last month
- Predict materials properties using only the composition information!☆103Updated 2 years ago
- molSimplify code☆189Updated last week
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆145Updated 11 months ago
- A collection of tools and databases for atomistic machine learning☆48Updated 3 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆143Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆179Updated this week
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆95Updated 2 years ago
- An automatic engine for predicting materials properties.☆155Updated last year
- ☆24Updated 2 years ago
- Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters☆14Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆33Updated 2 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆191Updated 2 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆107Updated 3 years ago
- Workflow for creating and analyzing the Open Catalyst Dataset☆108Updated 4 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆76Updated 3 years ago
- Matbench: Benchmarks for materials science property prediction☆157Updated 9 months ago
- A Python library and command line interface for automated free energy calculations☆79Updated 3 weeks ago
- Atomic interaction potentials based on artificial neural networks☆118Updated last month
- A collection of Nerual Network Models for chemistry☆136Updated last week
- Crystal Graph Neural Networks☆109Updated last year
- Graph neural network potential with charge transfer☆35Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- ☆108Updated 2 years ago