10 results found Sort:

144
686
mit
23
NequIP is a code for building E(3)-equivariant interatomic potentials
Created 2021-03-15
1,876 commits to main branch, last one 3 months ago
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
Created 2022-02-06
39 commits to main branch, last one 3 months ago
21
75
other
3
A Python library and command line interface for automated free energy calculations
Created 2021-07-16
1,096 commits to main branch, last one 2 months ago
24
73
other
9
python library for atomistic machine learning
Created 2021-11-17
172 commits to development branch, last one 27 days ago
6
70
mit
6
Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside pow...
Created 2024-10-18
63 commits to main branch, last one 4 days ago
24
63
apache-2.0
7
UF3: a python library for generating ultra-fast interatomic potentials
Created 2021-10-01
731 commits to develop branch, last one 4 months ago
2
56
apache-2.0
0
Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
Created 2024-03-24
205 commits to main branch, last one 17 days ago