17 projects
Fragmenstein
Merging, linking and placing compounds by stitching them together like a reanimated corpse
arthorian-quest
using Arthor and filtering the results with Fragmenstein
molecular-rectifier
Given an RDKit molecule that does not sanitise, correct it until it does, regardless of the severity of the change.
pyrosetta-help
A variety of functions to make working with Pyrosetta easier.
fragment-elaboration-scripts
smallworld-api
An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
rdkit-to-params
Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file.
jsme-notebook
JSME molecular editor in a Jupyter or Colab notebook in a hacky way.
gist-import
GitHub Gist are handy snippets, which are meant to be copy-pasted into one's code... but what if you could import them?
michelanglo-api
API to interface with Michelanglo
fragalysis-api
A package to load PDBs into fragalysis format.
notebook-error-reporter
A error notification system for remote Jupyter notebooks
michelanglo-transpiler
Transpiler module for Michelanglo
michelanglo-protein
protein module for Michelanglo
ConsurfDB-client-API
Python3 client API for ConsurfDB
PanelApp-client-API
unofficial Python3 client API (SDK) for Genomics England (GEL) PanelApp
pyfurby
Controlling the various parts of the Furby with Python and a Pi Zero
