a-r-j

graphein

Protein Graph Library

ProteinWorkshop

Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models and training/task utilities. (ICLR 2024)

CPDB

Cython implementation of PDB -> DataFrame parsing

graphtype

Type hinting for networkx Graphs

DrugTranslatoR

R package for translating between drug identifiers using the Chemical Translation Service (CTS)

covid

Druggability analysis of SARS-CoV-2

optimallm

Optimise python functions with LLMs

npview

CLI tools for quickly inspecting CSV/TSV & NumPy (.npy) array files

pytorch_geometric

Graph Neural Network Library for PyTorch

TB-Resources

List of online databases and resources for Mycobacterium Tuberculosis

a-r-j

biopandas

Working with molecular structures in pandas DataFrames

catnat

artisan

artisan: visual scope for coffee roasters

crkbd-keymap

Keymaps for CRKBD

doom-emacs

An Emacs framework for the stubborn martian hacker

dotfiles

general scripts/set ups I use across multiple machines

ethoscope

a platform from monitoring animal behaviour in real time from a raspberry pi

FlowMO

Library for training Gaussian Processes on Molecules

gnat

nat+GUI

graphein-binder

graphein-web

jamasb.io

loss-landscapes-gpu

Approximating neural network loss landscapes in low-dimensional parameter subspaces for PyTorch

mmterm

View proteins and trajectories in the terminal

molplotly

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

peptirdle

A clone of the popular game Wordle made using React, Typescript, and Tailwind

ProtCHOIR

Protein Complexes and Homo Oligomeric Interfaces Resolver

pymolcolorizer

Simple utility for coloring macromolecules in PyMOL

vscode-restclient

REST Client Extension for Visual Studio Code