torchmd / mdgrad

Pytorch differentiable molecular dynamics

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

Commits 577 (last one 2 years ago)

Stargazers 169 (0 this week)

Watchers 8 (0 this week)

Forks 16

License mit

Ranking

RepositoryStats indexes 579,555 repositories, of these torchmd/mdgrad is ranked #200,402 (65th percentile) for total stargazers, and #244,081 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #35,774/115,123.

torchmd/mdgrad is also tagged with popular topics, for these it's ranked: graph-neural-networks (#192/578), chemistry (#53/171), physics-simulation (#65/150), molecular-dynamics (#43/114)

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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: 2024-11-06 @ 06:59pm, id: 287831662 / R_kgDOESf2bg