Arup 's repositories
coding-interview-university
A complete computer science study plan to become a software engineer.
ACOX-simulations
Setup and analysis scripts for ACOX simulations
Language:ShellMIT000
AF-CBA-pipeline
3 Stage filtering pipeline for finding binding epitope
Capri_round51
Top ten models for CAPRI targets
MIT000
CapriCovid_2020
Our simulated systems using MELDxMD for the CAPRI round 51 experiment
MIT000
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Language:PythonMIT000
edx-documentation
For published versions of the edX documentation, visit:
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EpHod
Deep learning prediction of enzyme optimum pH
Language:PythonMIT000
Language:PythonGPL-2.0000
mdgeomkit
A MDA kit developed for MDAnalysis workshop
MIT000
meld
Modeling with limited data
Language:PythonNOASSERTION000
NEF-1
NMR Exchange Format official specification
Language:PythonLGPL-3.0000
Language:Python000
NFold
Process Machine Learning Histogram data to setup MELD folding simulations
Language:Python000
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nxviz
Visualization Package for NetworkX
Language:PythonMIT000
Language:JavaScript000
S2C2_Workshop_2021_MELD-MDFF-NNPs
CryoEM Modeling and Validation Workshop at Stanford
Language:Python000