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Open Graph Title: deepmodeling/DMFF

X Title: deepmodeling/DMFF

Description: DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models. - deepmodeling/DMFF

Open Graph Description: DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models. - deepmodeling/DMFF

X Description: DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models. - deepmodeling/DMFF

Opengraph URL: https://github.com/deepmodeling/DMFF

X: @github

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og:image:altDMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models. - deepmodeling/DMFF
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[Feature Request] Refactor the cpp interface of the saved DMFF jax model with MD enginehttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/173
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
dingye18https://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Adingye18
[Feature Request] Support for machine learning force field in OpenMM DMFF pluginhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/152
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
tucy22https://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Atucy22
[Feature Request] Install dependencies automatically and publish to PyPIhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/128
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
njzjzhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Anjzjz
Question about gradienthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/113
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
faranak1991https://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Afaranak1991
[Feature Request] Request a new feature for development of reactive force fieldhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/103
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
l98y3j26https://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Al98y3j26
[Feature Request] Efficient neighborlist construction/usage plugin for nonbonded force calculationhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/91
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
TablewareBoxhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3ATablewareBox
[Feature Request] Support parameter optimization for dynamic properties based on trajectoryhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/88
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
ice-hanbinhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Aice-hanbin
[Feature Request] MD Engine Support (LAMMPS) for trained model with DMFFhttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues/87
enhancementNew feature or requesthttps://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20label%3Aenhancement
WangXinyan940https://patch-diff.githubusercontent.com/deepmodeling/DMFF/issues?q=is%3Aissue%20state%3Aopen%20author%3AWangXinyan940
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