jasonkim8652

jasonkim8652's Stars

• steineggerlab/foldseek

  Foldseek enables fast and sensitive comparisons of large structure sets.

  Language:C814100

• chaidiscovery/chai-lab

  Chai-1, SOTA model for biomolecular structure prediction

  Language:Python1.2k152

• kongds/MoRA

  MoRA: High-Rank Updating for Parameter-Efficient Fine-Tuning

  Language:Python33919

• AlexDuvalinho/GraphSVX

  Explanation method for Graph Neural Networks (GNNs)

  Language:Python6017

• ndey96/GCNN-Explainability

  Implementation of "Explainability Methods for Graph Convolutional Neural Networks" from HRL Laboratories

  Language:Jupyter Notebook773

• guanjq/targetdiff

  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

  Language:Python21434

• EDAPINENUT/CBGBench

  Official code repository of CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph

  Language:Python22532

• universvm/how_to_create_a_protein

  A short course on proteins and protein design aimed at early career students

  1396

• MathFoundationRL/Book-Mathematical-Foundation-of-Reinforcement-Learning

  This is the homepage of a new book entitled "Mathematical Foundations of Reinforcement Learning."

  Language:MATLAB3.8k513

• pytorch/tensordict

  TensorDict is a pytorch dedicated tensor container.

  Language:Python83274

• labmlai/annotated_deep_learning_paper_implementations

  🧑‍🏫 60+ Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

  Language:Python56k5.8k

• AIRI-Institute/FFREED

  Language:Python52

• AIRI-Institute/GOLF

  GOLF: Gradual Optimization Learning for Conformational Energy Minimization

  Language:Python18

• Merck/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.

  Language:Python15045

• kyegomez/AlphaFold3

  Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

  Language:Python73998

• cxli233/FriendsDontLetFriends

  Friends don't let friends make certain types of data visualization - What are they and why are they bad.

  Language:R6.4k248

• diff-usion/Awesome-Diffusion-Models

  A collection of resources and papers on Diffusion Models

  Language:HTML11k945

• jasonkim8652/al_breakdown

  Language:Python4

• baker-laboratory/RoseTTAFold-All-Atom

  Language:Python641114

• aqlaboratory/openfold

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

  Language:Python2.8k542

• MorganCThomas/MolScore

  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

  Language:Python14724

• Laboratoire-de-Chemoinformatique/Synt-On

  Open-source tool for synthons-based library design.

  Language:Python6923

• connorcoley/rdchiral

  Wrapper for RDKit's RunReactants to improve stereochemistry handling

  Language:Jupyter Notebook15452

• dptech-corp/Uni-Core

  an efficient distributed PyTorch framework

  Language:Python12232

• dptech-corp/Uni-Fold

  An open-source platform for developing protein models beyond AlphaFold.

  Language:Python37674

• cossio/imsb-uke-TCRs-pMHC

  Datasets containing CDR3 Beta sequences and peptide sequences, with a true label indication whether the combination binds or not.

  1

• DrrDom/crem

  CReM: chemically reasonable mutations framework

  Language:Jupyter Notebook20838

• 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:Groovy25034

• bowenliu16/rl_graph_generation

  Language:Python346108

• amorehead/EGNN-DGL

  An implementation of the Equivariant Graph Neural Network (EGNN) layer type for DGL-PyTorch.

  Language:Python131