5 results found Sort:

TinkerTools
tinker TinkerTools
63
135
other
26
Tinker: Software Tools for Molecular Design
force-fields molecular-dynamics molecular-modeling molecular-mechanics biomolecular-simulation
Created 2013-06-23
1,060 commits to release branch, last one a day ago
OpenBioSim
biosimspace OpenBioSim
16
97
gpl-3.0
8
An interoperable Python framework for biomolecular simulation.
drug-discovery reproducibility interoperability molecular-dynamics molecular-simulation computational-biology computational-physics reproducible-research biomolecular-simulation computational-chemistry free-energy-calculations
Created 2023-01-26
4,591 commits to devel branch, last one 23 hours ago
michellab
BioSimSpace michellab
19
79
gpl-3.0
12
Code and resources for the EPSRC BioSimSpace project.
ccpbiosim reproducibility interoperability molecular-dynamics computational-biology computational-physics reproducible-research biomolecular-simulation computational-chemistry
Created 2017-08-21
3,280 commits to devel branch, last one about a year ago
TinkerTools
tinker9 TinkerTools
28
50
other
8
Tinker9: Next Generation of Tinker with GPU Support
force-fields gpu-computing molecular-dynamics molecular-modeling molecular-mechanics biomolecular-simulation
Created 2019-05-13
1,958 commits to master branch, last one about a year ago
OpenBioSim
sire OpenBioSim
12
48
gpl-3.0
5
Sire Molecular Simulations Framework
qmmm python cplusplus molecular-simulation biomolecular-simulation free-energy-calculations
Created 2023-01-06
4,492 commits to devel branch, last one 6 hours ago