carlocamilloni

carlocamilloni's Stars

• rohitsinghlab/raygun

  Template-based protein design with Raygun

  Language:Python312

• compsciencelab/mdCATH

  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.

  Language:Jupyter Notebook17

• patrickbryant1/EvoBind

  In silico directed evolution of peptide binders with AlphaFold

  Language:Jupyter Notebook8216

• deepmodeling/Uni-Mol

  Official Repository for the Uni-Mol Series Methods

  Language:Python652117

• moldyn/dcTMD

  Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.

  Language:Python14

• aqlaboratory/genie2

  Protein structure diffusion model for unconditional protein generation and motif scaffolding

  Language:Python10615

• aqlaboratory/openfold

  Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

  Language:Python2.7k501

• rdk/p2rank

  P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

  Language:Groovy23732

• bjing2016/alphaflow

  AlphaFold Meets Flow Matching for Generating Protein Ensembles

  Language:Python33244

• zrqiao/NeuralPLexer

  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

  Language:Jupyter Notebook25066

• gcorso/DiffDock

  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

  Language:Python1k249

• baker-laboratory/rf_diffusion_all_atom

  Public RFDiffusionAA repo

  Language:Python27539

• baker-laboratory/RoseTTAFold-All-Atom

  Language:Python599108

• dauparas/LigandMPNN

  Language:Python20238

• Profluent-Internships/MMDiff

  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion

  Language:Python514

• AspirinCode/papers-for-molecular-design-using-DL

  List of Molecular and Material design using Generative AI and Deep Learning

  63490

• psf/black

  The uncompromising Python code formatter

  Language:Python38.3k2.4k

• scanberg/viamd

  Visual Interactive Analysis of Molecular Dynamics

  Language:C++27028

• multi-ego/multi-eGO

  Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations

  Language:Python107

• aethertier/secstructartist

  A python module to plot secondary structure schemes

  Language:Python24

• cp2k/cp2k

  Quantum chemistry and solid state physics software package

  Language:Fortran826380

• DessimozLab/fold_tree

  snakemake pipeline for creating trees from sequence sets

  Language:Jupyter Notebook665

• luigibonati/mlcolvar

  A unified framework for machine learning collective variables for enhanced sampling simulations

  Language:Python9124

• psipred/s4pred

  A tool for accurate prediction of a protein's secondary structure from only it's amino acid sequence

  Language:Python458

• uw-ipd/RoseTTAFold2

  Language:Python16036

• westpa/westpa

  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

  Language:Python19255

• jax-md/jax-md

  Differentiable, Hardware Accelerated, Molecular Dynamics

  Language:Jupyter Notebook1.2k187

• RosettaCommons/RFdiffusion

  Code for running RFdiffusion

  Language:Python1.6k313

• sokrypton/RFdiffusion

  Code for running RFdiffusion

  Language:Python107

• openmm/openmm-plumed

  OpenMM plugin to interface with PLUMED

  Language:C++5923