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    28 repositories

    • protein_generator

      Public
      Joint sequence and structure generation with RoseTTAFold sequence space diffusion
      Python
      •
      MIT License
      •44•0•0•0•Updated Aug 30, 2024Aug 30, 2024

    • image-builder

      Public
      Tools for building Kubernetes disk images
      Shell
      •
      Apache License 2.0
      •402•0•0•0•Updated Jun 18, 2024Jun 18, 2024

    • molecular-converter

      Public
      A CLI tool to seamlessly convert between various molecular file formats such as PDB, MOL2, mmCIF and many more.
      Python
      •0•0•0•0•Updated Jan 3, 2024Jan 3, 2024

    • pipdeptree

      Public
      A command line utility to display dependency tree of the installed Python packages
      Python
      •
      MIT License
      •151•0•0•0•Updated Oct 25, 2023Oct 25, 2023

    • fairseq

      Public
      Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
      Python
      •
      MIT License
      •6.4k•0•0•0•Updated Oct 11, 2023Oct 11, 2023

    • localcolabfold

      Public
      ColabFold on your local PC
      Python
      •
      MIT License
      •140•1•0•0•Updated Jun 13, 2023Jun 13, 2023

    • mordred

      Public
      a molecular descriptor calculator
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •97•1•0•0•Updated Jan 18, 2023Jan 18, 2023

    • scargo

      Public
      Transpile Python scientific workflows to Argo
      Python
      •
      MIT License
      •0•3•0•0•Updated Jan 18, 2023Jan 18, 2023

    • invoke

      Public
      Pythonic task management & command execution.
      Python
      •
      BSD 2-Clause "Simplified" License
      •370•0•0•0•Updated Dec 31, 2022Dec 31, 2022

    • AbNumber

      Public
      Convenience Python APIs for antibody numbering using ANARCI
      Python
      •
      MIT License
      •12•0•0•0•Updated Sep 28, 2022Sep 28, 2022

    • ProteinMPNN

      Public
      Code for the ProteinMPNN paper
      Jupyter Notebook
      •
      MIT License
      •315•0•0•0•Updated Sep 14, 2022Sep 14, 2022

    • kuberay

      Public
      A toolkit to run Ray applications on Kubernetes
      Go
      •
      Apache License 2.0
      •422•0•0•0•Updated Sep 7, 2022Sep 7, 2022

    • vscode-moe-svl

      Public
      MOE SVL support for Visual Studio Code
      MIT License
      •1•3•0•0•Updated Aug 23, 2022Aug 23, 2022

    • mlflow-docker

      Public
      Docker image for MLflow.
      Dockerfile
      •
      Apache License 2.0
      •6•1•0•0•Updated Aug 18, 2022Aug 18, 2022

    • ray

      Public
      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.
      Python
      •
      Apache License 2.0
      •5.9k•0•0•0•Updated Mar 13, 2022Mar 13, 2022

    • spektral

      Public
      Graph Neural Networks with Keras and Tensorflow 2.
      Python
      •
      MIT License
      •333•0•0•0•Updated Mar 11, 2022Mar 11, 2022

    • biopython

      Public
      Official git repository for Biopython (originally converted from CVS)
      Python
      •
      Other
      •1.8k•3•0•0•Updated Feb 16, 2022Feb 16, 2022

    • ANARCI

      Public
      Antibody Numbering and Antigen Receptor ClassIfication
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •92•0•0•0•Updated Sep 24, 2021Sep 24, 2021

    • BioPhi

      Public
      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.
      Python
      •
      MIT License
      •45•0•0•0•Updated Sep 16, 2021Sep 16, 2021

    • alphafold

      Public
      Open source code for AlphaFold.
      Python
      •
      Apache License 2.0
      •2.3k•0•0•1•Updated Sep 9, 2021Sep 9, 2021

    • pqrs

      Public
      Python
      •0•0•0•0•Updated Aug 23, 2021Aug 23, 2021

    • cbh21-protein-solubility-challenge

      Public
      Template with code & dataset for the "Structural basis for solubility in protein expression systems" challenge at the Copenhagen Bioinformatics Hackathon 2021.
      hackathonprotein-structureproteindrug-discoverysolubility-prediction
      Python
      •
      MIT License
      •23•21•0•1•Updated Apr 25, 2021Apr 25, 2021

    • rdkit-wheels

      Public
      Dockerfile
      •1•1•0•0•Updated Mar 28, 2021Mar 28, 2021

    • pyquil

      Public
      A Python library for quantum programming using Quil.
      Python
      •
      Apache License 2.0
      •344•1•0•0•Updated Oct 23, 2019Oct 23, 2019

    • visualize_HW

      Public
      Python script to visualize helical wheels based on input sequence.
      visualizationprotein-designpeptidehelical-wheelsalpha-helices
      Python
      •
      MIT License
      •4•8•0•0•Updated Mar 27, 2019Mar 27, 2019

    • mdtraj

      Public
      A modern, open library for the analysis of molecular dynamics trajectories
      C
      •
      GNU Lesser General Public License v2.1
      •280•2•0•0•Updated Oct 9, 2018Oct 9, 2018

    • grove

      Public
      Quantum algorithms built using pyQuil
      Python
      •
      Apache License 2.0
      •124•1•0•0•Updated Jul 23, 2018Jul 23, 2018

    • qbsolv

      Public
      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.)
      C++
      •
      Apache License 2.0
      •229•0•0•0•Updated Feb 19, 2018Feb 19, 2018