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Semiempirical Extended Tight-Binding Program Package
Created
2019-09-30
455 commits to main branch, last one 9 days ago
Accurate Neural Network Potential on PyTorch
Created
2018-04-02
434 commits to master branch, last one 10 months ago
Tensorflow + Molecules = TensorMol
Created
2016-10-28
1,724 commits to master branch, last one 6 years ago
ANI-1 neural net potential with python interface (ASE)
Created
2016-12-08
112 commits to master branch, last one 6 months ago
Tool to build force field input files for molecular simulation
Created
2013-12-06
206 commits to master branch, last one 7 months ago
A package for atom-typing as well as applying and disseminating forcefields
Created
2015-04-16
917 commits to main branch, last one 4 days ago
The Biochemical Algorithms Library
Created
2015-02-19
13,967 commits to master branch, last one 2 years ago
A physical property evaluation toolkit from the Open Forcefield Consortium.
Created
2019-01-31
1,572 commits to main branch, last one a day ago
Force field for ionic liquids
Created
2013-02-22
158 commits to master branch, last one 2 months ago
Differentiable molecular simulation of proteins with a coarse-grained potential
Created
2021-02-03
50 commits to master branch, last one 2 years ago
Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
Created
2017-07-17
65 commits to master branch, last one about a month ago