torchmd / mdgrad

Pytorch differentiable molecular dynamics

Date Created 2020-08-15 (4 years ago)

Commits 577 (last one 2 years ago)

Stargazers 170 (0 this week)

Watchers 8 (0 this week)

Forks 16

License mit

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RepositoryStats indexes 598,732 repositories, of these torchmd/mdgrad is ranked #204,042 (66th percentile) for total stargazers, and #247,336 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #36,816/120,199.

torchmd/mdgrad is also tagged with popular topics, for these it's ranked: graph-neural-networks (#198/594), chemistry (#56/179), physics-simulation (#67/153), molecular-dynamics (#45/121)

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torchmd/mdgrad has Github issues enabled, there are 2 open issues and 0 closed issues.

All Topics

polymer chemistry quantum-dynamics molecular-dynamics physics-simulation graph-neural-networks quantum-isomerization statistical-mechanics force-field-optimization differentiable-simulations

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112 commits on the default branch (master) since jan '22

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The only known language in this repository is Python

updated: 2024-12-29 @ 02:11pm, id: 287831662 / R_kgDOESf2bg