kimdn

kimdn's Stars

• microsoft/Graphormer

  Graphormer is a general-purpose deep learning backbone for molecular modeling.

  Language:Python2.2k30157343

• evolutionaryscale/esm

  Language:Python1.6k25126183

• chaidiscovery/chai-lab

  Chai-1, SOTA model for biomolecular structure prediction

  Language:Python1.5k23143193

• steineggerlab/foldseek

  Foldseek enables fast and sensitive comparisons of large structure sets.

  Language:C87018355105

• YoshitakaMo/localcolabfold

  ColabFold on your local PC

  Language:Python63815264141

• baker-laboratory/rf_diffusion_all_atom

  Public RFDiffusionAA repo

  Language:Python34892958

• dauparas/LigandMPNN

  Language:Python262133153

• forlilab/Meeko

  Interface for AutoDock, molecule parameterization

  Language:Python2171018950

• Kuhlman-Lab/ThermoMPNN

  GNN trained to predict changes in thermodynamic stability for protein point mutants

  Language:Python13502323

• haddocking/haddock3

  Official repo of the modular BioExcel version of HADDOCK

  Language:Python1211549941

• ikalvet/heme_binder_diffusion

  Language:Python10421726

• HySonLab/Protein_Redesign

  ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models

  Language:Python39435

• timothygrant80/cisTEM

  Language:C++33733227

• wan-lab-vanderbilt/STOPGAP

  STOPGAP is a MATLAB-based package for subtomogram averaging.

  Language:MATLAB31406

• bayer-science-for-a-better-life/pKAI

  pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction

  Language:Python30508

• SBC-Utrecht/pytom-match-pick

  GPU-accelerated template matching for cryo-ET

  Language:Python3031009

• seonghann/tsdiff

  Diffusion model for transition state prediction

  Language:Python30215

• KudryashevLab/TomoBEAR

  TomoBEAR is a configurable and customizable modular pipeline for streamlined processing of cryo-electron tomographic data for subtomogram averaging.

  Language:MATLAB272156

• ml-struct-bio/drgnai

  Language:Python251134

• brisvag/blik

  Python tool for visualising and interacting with cryo-ET and subtomogram averaging data.

  Language:Python235528

• hongliangduan/HighFold

  Language:Python21127

• cdienem/StarTool

  The Swiss Army Knife for Editing Relion .STAR Files

  Language:Python19366

• tribell4310/reliosparc

  Tools for interfacing between cryoSPARC and Relion

  Language:Python15142

• ysl-lab/CP_tutorial

  Introduction to cyclic peptide simulations and our group's protocols.

  Language:Python9103

• gauthierscience/beta-lac-protein-design

  Analysis scripts and data for the manuscript "Simultaneous Enhancement of Multiple Functional Properties Using Evolution-informed Protein Design"

  Language:Jupyter Notebook7004

• PNNL-CompBio/CLEAN-Contact

  PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference

  Language:Python6484

• LorenzLamm/membrain-pick

  Language:Python3141

• ElsevierSoftwareX/SOFTX-D-23-00732

  Language:Python1001

• seanhatton/mod2mrc

  IMOD model file to binary MRC

  Language:Shell1101

• trevormoser/tomoProcess

  Scripts used for EMSL tomography data processing

  Language:Shell11