venzera

venzera's Stars

• jwohlwend/boltz

  Official repository for the Boltz-1 biomolecular interaction model

  Language:Python1.6k33137220

• open-mmlab/OpenMMLabCourse

  OpenMMLab course index and stuff

  Language:Jupyter Notebook1.1k128134

• sokrypton/ColabDesign

  Making Protein Design accessible to all via Google Colab!

  Language:Python6862877156

• gnina/gnina

  A deep learning framework for molecular docking

  Language:C++66532237152

• LPDI-EPFL/masif

  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

  Language:Python6292484158

• mdtraj/mdtraj

  An open library for the analysis of molecular dynamics trajectories

  Language:Python623471.1k284

• martinpacesa/BindCraft

  User friendly and accurate binder design pipeline

  Language:Python4541215790

• arneschneuing/DiffSBDD

  A Euclidean diffusion model for structure-based drug design.

  Language:Python396134590

• Graylab/DL4Proteins-notebooks

  Colab Notebooks covering deep learning tools for biomolecular structure prediction and design

  Language:Jupyter Notebook3365447

• RosettaCommons/rosetta

  The Rosetta Bio-macromolecule modeling package.

  Language:C++2201983274

• mat10d/EvolvePro

  This is the offical codebase to reproduce and use EVOLVEpro, a model for in silico directed evolution of protein activities using few-shot active learning.

  Language:Python20362543

• alibaba/LucaProt

  LucaProt: A novel deep learning framework that incorporates protein amino acid sequence and structural information to predict protein function.

  Language:Python1664428

• molmod/openmm-tutorial-msbs

  OpenMM tutorial for the MSBS course

  Language:Jupyter Notebook15951244

• rifdock/rifdock

  Rifdock Library for Conformational Search

  Language:C++14984844

• LPDI-EPFL/masif_seed

  Masif seed paper repository

  Language:Jupyter Notebook14572435

• drorlab/pensa

  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.

  Language:Python136142820

• JeffSHF/ColabDock

  Code for ColabDock paper

  Language:Python136102318

• 3dem/model-angelo

  Automatic atomic model building program for cryo-EM maps

  Language:Python13198922

• pemsley/coot

  Software for macromolecular model-building

  Language:C++1281314547

• PDBeurope/arpeggio

  Calculation of interatomic interactions in molecular structures

  Language:Python8471420

• ncbi/SSDraw

  Language:Jupyter Notebook834511

• gregory-kyro/HAC-Net

  HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction

  Language:Jupyter Notebook55298

• liuyf020419/SCUBA-D

  Language:Python52423

• PDBeurope/ccdutils

  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit

  Language:Python51737

• meilerlab/HyperMPNN

  HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles

  Language:Jupyter Notebook49339

• jeffreyruffolo/AntiBERTy

  Antibody-specific masked language model

  Language:Python481313

• bene837/af2seq

  Language:Python414710

• Croydon-Brixton/proteinmpnn_wrapper

  A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files

  Language:Python10100

• steineggerlab/SeekRank

  Rank homologous protein sequences based on a regressor trained on experimental measures

  Language:Jupyter Notebook7301

• wz-create/AptaDiff

  init commit

  Language:Python6105