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abnumber

Convenience Python APIs for antibody numbering using ANARCI

alphafold

Open source code for AlphaFold.

anarci

Antibody Numbering and Antigen Receptor ClassIfication

biophi

BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluation (OASis) and an interface for computer-assisted antibody sequence design.

biopython

Official git repository for Biopython (originally converted from CVS)

cbh21-protein-solubility-challenge

Template with code & dataset for the "Structural basis for solubility in protein expression systems" challenge at the Copenhagen Bioinformatics Hackathon 2021.

dna_hiring_task

20min programming task for the 2023 ML hiring process.

fairseq

Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

grove

Quantum algorithms built using pyQuil

image-builder

Tools for building Kubernetes disk images

invoke

Pythonic task management & command execution.

kuberay

A toolkit to run Ray applications on Kubernetes

localcolabfold

ColabFold on your local PC

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

mlflow-docker

Docker image for MLflow.

molecular-converter

A CLI tool to seamlessly convert between various molecular file formats such as PDB, MOL2, mmCIF and many more.

mordred

a molecular descriptor calculator

pipdeptree

A command line utility to display dependency tree of the installed Python packages

pqrs

proteinmpnn

Code for the ProteinMPNN paper

pyquil

A Python library for quantum programming using Quil.

qbsolv

Qbsolv,a decomposing solver, finds a minimum value of a large quadratic unconstrained binary optimization (QUBO) problem by splitting it into pieces solved either via a D-Wave system or a classical tabu solver. (Note that qbsolv by default uses its internal classical solver. Access to a D-Wave system must be arranged separately.)

ray

An open source framework that provides a simple, universal API for building distributed applications. Ray is packaged with RLlib, a scalable reinforcement learning library, and Tune, a scalable hyperparameter tuning library.

rdkit-wheels

scargo

Transpile Python scientific workflows to Argo

spektral

Graph Neural Networks with Keras and Tensorflow 2.

visualize_hw

Python script to visualize helical wheels based on input sequence.

vscode-moe-svl

MOE SVL support for Visual Studio Code