- Suzhou, China
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11:30
(UTC +08:00) - https://scholar.google.com/citations?user=kG7jauIAAAAJ&hl=zh-CN
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amber_tutorials
amber_tutorials PublicSome tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.
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FEP-SPell-ABFE
FEP-SPell-ABFE PublicFEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
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FEP-SPell-ABFE-benchmark
FEP-SPell-ABFE-benchmark PublicThis repo contains some scripts and data information for FEP-SPell-ABFE-benchmark.
Shell
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ErrorBP-NN
ErrorBP-NN PublicImplement the error backpropagation algorithm for neural network.
Jupyter Notebook
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