Projects that have a higher project-quality score compared to the last update. There might be a variety of reasons, such as increased downloads or code activity.
- NequIP (🥇30 · ⭐ 870 · 📈) - NequIP is a code for building E(3)-equivariant interatomic potentials.
MIT - MACE (🥇23 · ⭐ 1.1K · 📈) - MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
MIT - MatterSim (🥈21 · ⭐ 510 · 📈) - MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
MITML-IAPactive-learningmultimodalphase-transitionpretrained - MatterGen (🥇18 · ⭐ 1.6K · 📈) - Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table..
MITgenerativestructure-predictionpretrained - OpenMM-ML (🥈17 · ⭐ 150 · 📈) - High level API for using machine learning models in OpenMM simulations.
MITML-IAP
Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity.
- ATOM3D (🥈19 · ⭐ 320 · 💀) - ATOM3D: tasks on molecules in three dimensions.
MITbiomoleculesbenchmarking - AtomAI (🥈18 · ⭐ 220 · 💤) - Deep and Machine Learning for Microscopy.
MITcomputer-visionUSLexperimental-data - PET-MAD (🥉18 · ⭐ 150 · 📉) - Universal interatomic potentials for advanced materials modeling.
BSD-3ML-IAPMDrep-learntransformer - escnn (🥈17 · ⭐ 500 · 💀) - Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/.
Custom - dftio (🥈8 · ⭐ 14 · 📉) - dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by..
LGPL-3.0data-structuresworkflows