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Search results for molecular dynamics computational biology
computational-biology
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molecular-dynamics
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13 search results found
Vde
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161
Variational Autoencoder for Dimensionality Reduction of Time-Series
Iodata
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108
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
Biosimspace
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64
Code and resources for the EPSRC BioSimSpace project.
Biosimspace
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48
An interoperable Python framework for biomolecular simulation.
Pycontact
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34
Analysis of non-covalent interactions in MD trajectories
Contact_map
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31
Contact map analysis for biomolecules; based on MDTraj
Kif
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20
KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
Str2str
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10
Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
Py Mcmd
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9
This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
Md Davis
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8
MD DaVis: A python package to analyze molecular dynamics trajectories of proteins
Mdtools
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8
Scripts to prepare and analyze molecular dynamics simulations
Optimus_bind_sample
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7
Designed to optimize the time/accuracy trade-off in predicting the effects of mutations on protein-protein binding
Livecomsjournal.github.io
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6
Content for policy/instructional pages of the Living Journal of Computational Molecular Science (LiveCoMS)
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1-13 of 13 search results
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