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YuanSH/MindSponge forked from Yesterday/MindSPONGE

Simulation Package tOwards Next Generation molecular modelling (SPONGE) for MindSpore AI framework

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YuanSH/MDtools forked from Calchemist/MDtools

Some tools for processing simple tasks during utilizing MD, such as read output and trajectory files, calculating RMSD and performing reweighting.

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Yesterday/Cybertron

Cybertroncode for GNN-Based deep molecular model by MindSpore

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YuanSH/Cybertron forked from Calchemist/Cybertron

Cybertroncode for GNN-Based deep molecular model by MindSpore

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YuanSH/MindSponge_MLMM forked from Calchemist/MindSponge

MindSPONGE (MindSpore Simulation Package tOwards Next Generation molecular modelling)

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YuanSH/Xponge forked from GAO_HYP_XYJ/Xponge

由Python编写的轻量化能高度自定义的分子动力学模拟的前后处理工具

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YuanSH/Cybertroncode forked from Yesterday/Cybertron

Cybertroncode for GNN-Based deep molecular model by MindSpore

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YuanSH/mindsponge_am1 forked from 董田歌/mindsponge_am1

mindsponge_am1

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YuanSH/mindscience forked from MindSpore/mindscience

MindScience is scientific computing kits for various industries based on the converged MindSpore framework.

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YuanSH/VMD-h5mdplugin forked from Yesterday/VMD-h5mdplugin

This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5md/)

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Gao-2021/paper