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alphafold

Open source code for AlphaFold.

cd44_antagonists

chem-workflows

Web site repository

cheminformatics_workflows_source

concensuspharmacophore

Consensus pharmacophore for Drug Design

ctf

Chemical table files for constraint-based modelling

docking_analyzer

This is an attempt to generate a library for docking analysis.

docking_analyzer_devel

Deloping version of docking analizer

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

jupyter

Jupyter metapackage for installation, docs and chat

jupyter_dock

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

jupyter_dock_devel

macro_analyzer

This is a public source for the files reported in "Automatization of Generic Shapes for Macrocycle Conformational Sampling"

making-it-rain

Cloud-based molecular simulations for everyone

metaworkflow

Online workflow guidelines for metabolomics

molplotly

add-on to plotly which show molecule images on mouseover!

mpi-vgae

opennmt-py

rbd_peptide_antagonist

Design and Biological Activities of Peptides that antagonise This is the public repository of the project: Angiotensin- Converting Enzyme-2 (ACE-2) interaction with the receptor binding spike protein of SARS-CoV-2

rosettafold-all-atom

scripts_notebooks

seqvec

Modelling the Language of Life - Deep Learning Protein Sequences