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61

130

other

27

Tinker: Software Tools for Molecular Design

force-fields molecular-dynamics molecular-modeling molecular-mechanics biomolecular-simulation

Created 2013-06-23

1,050 commits to release branch, last one 2 days ago

13

79

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

4,545 commits to devel branch, last one 11 days ago

19

77

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

27

48

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

11

42

gpl-3.0

6

Sire Molecular Simulations Framework

qmmm python cplusplus molecular-simulation biomolecular-simulation free-energy-calculations

Created 2023-01-06

4,389 commits to devel branch, last one 11 days ago