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• 0
• 2

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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• 0
• 0

Calchemist/PolarizableMolCT

Package for fitting electrostatic interaction

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• 0
• 0

Calchemist/MLMMTools

Toolkits for ML/MM Simulation combined with SPONGE

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• 0

Calchemist/AM1Method

AM1 Validation based on Mindspore Framework

• 1
• 0
• 30

Calchemist/MindSponge forked from Yesterday/MindSPONGE

MindSPONGE (MindSpore Simulation Package tOwards Next Generation molecular modelling)

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• 0
• 20

Calchemist/Cybertron forked from Yesterday/Cybertron

Cybertroncode for GNN-Based deep molecular model by MindSpore

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• 0
• 730

Calchemist/mindscience forked from MindSpore/mindscience

暂停