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MD_FromBasicsToApplication Public
Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to be finished within one semester, but can be completed within …
Jupyter Notebook MIT License UpdatedApr 19, 2025 -
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truncate_amberbox Public
Often in biophysical simulations a lot of excess water doesn't need to be simulated after complex formation, but deleting all of it would destroy the nice water structure around eventual macromolec…
Python MIT License UpdatedAug 2, 2023 -
stitch_sims Public
Stitches restarted amber simulations together, reliably (hopefully).
UpdatedJun 21, 2022 -
tmscoring Public
Forked from Dapid/tmscoringPython implementation of the TMscore program
Python BSD 3-Clause "New" or "Revised" License UpdatedMay 1, 2021 -
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open-data-registry Public
Forked from awslabs/open-data-registryA registry of publicly available datasets on AWS
Python Apache License 2.0 UpdatedJan 12, 2021 -
pymbar-examples Public
Forked from choderalab/pymbar-examplesExamples of applications of pymbar to various problems in simulation and experiment
Python UpdatedJan 16, 2015
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