BingqingCheng / cace

Related projects ⓘ

Alternatives and complementary repositories for cace

• imagdau / aseMolec
  ☆21Updated 7 months ago
• ICAMS / python-ace
  ☆72Updated this week
• ACEsuit / mace-mp
  MACE-MP models
  ☆47Updated last week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆46Updated 6 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆41Updated 2 months ago
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆72Updated last month
• zhangylch / FIREANN
  add the influence of external field to REANN model
  ☆23Updated 2 months ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆30Updated 4 months ago
• mir-group / pair_allegro
  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
  ☆35Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 2 years ago
• Yangxinsix / painn-sli
  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…
  ☆19Updated 5 months ago
• grimme-lab / dxtb
  Efficient And Fully Differentiable Extended Tight-Binding
  ☆71Updated 3 weeks ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 2 years ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆23Updated 2 weeks ago
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆61Updated last month
• zhangylch / REANN
  ☆55Updated 6 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆57Updated 3 months ago
• mir-group / pair_nequip
  ☆41Updated 5 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆47Updated this week
• ulissigroup / vasp-interactive
  ☆62Updated last year
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆21Updated last month
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆53Updated 3 months ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆66Updated 2 weeks ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆30Updated 2 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆34Updated this week
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆13Updated 2 years ago
• tobacco-mofs / tobacco_3.0
  ☆48Updated 3 years ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆47Updated this week
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆36Updated last year
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆40Updated 3 weeks ago