velocirraptor23

Passionate Drug Designer

University of DundeeUK

Pinned Repositories

Covid-19
Space for sharing input files, structures and simulation setups.
10
esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
Language:Python3.2k626
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Language:Python1.1k254
graphein
Protein Graph Library
Language:Jupyter Notebook1k131
RoseTTAFold-All-Atom
Language:Python613108
alphafold_non_docker
AlphaFold2 non-docker setup
Language:Shell338119
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Language:Python31190
Umol
Protein-ligand structure prediction
Language:Jupyter Notebook18817
FEgrow
An Open-Source Molecular Builder and Free Energy Preparation Workflow
Language:Jupyter Notebook11419
BioSimSpace
Code and resources for the EPSRC BioSimSpace project.
Language:Python7719

velocirraptor23/Covid-19
Space for sharing input files, structures and simulation setups.
1