zhaolongNCU / PocketDTA

Related projects ⓘ

Alternatives and complementary repositories for PocketDTA

• KULL-Centre / _2024_cagiada_stability
  ☆45Updated 3 weeks ago
• LBM-EPFL / CARBonAra
  Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…
  ☆34Updated 4 months ago
• gitter-lab / metl
  Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models
  ☆23Updated 3 weeks ago
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆52Updated this week
• LabWeng / MeTDDI
  ☆17Updated 2 months ago
• patrickbryant1 / Cfold
  Structure prediction of alternative protein conformations
  ☆71Updated 2 months ago
• AspirinCode / AlphaPPImd
  Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks
  ☆25Updated 5 months ago
• meyresearch / BALM
  Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models
  ☆15Updated 2 weeks ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆31Updated 6 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 8 months ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated 9 months ago
• ELELAB / RosettaDDGPrediction
  ☆46Updated 9 months ago
• Kuhlman-Lab / evopro
  ☆70Updated 6 months ago
• bene837 / af2seq
  ☆38Updated 2 months ago
• casperg92 / MaSIF_colab
  dMaSIF implementation for google colab
  ☆29Updated last year
• AstraZeneca / DiffAbXL
  The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…
  ☆42Updated 3 weeks ago
• seanrjohnson / protein_scoring
  Generating and scoring novel enzyme sequences with a variety of models and metrics
  ☆62Updated 4 months ago
• WeiLab-Biology / DeepProSite
  ☆26Updated 11 months ago
• ai4protein / Pro-FSFP
  Pro-FSFP: Few-Shot Protein Fitness Prediction
  ☆61Updated 2 months ago
• lamm-mit / ProteinDiffusionGenerator
  Generative method to design novel proteins using a diffusion model
  ☆43Updated last year
• bwicky / oligomer_hallucination
  ☆35Updated 11 months ago
• bzho3923 / CPDiffusion
  ☆16Updated last month
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆51Updated last year
• Immortals-33 / Scaffold-Lab
  A comprehensive benchmark on the performances of multiple protein backbone generative models.
  ☆32Updated last week
• guyuehuo / opendock
  ☆31Updated last month
• tyang816 / SES-Adapter
  Structure-aware adapter fine-tuning PLMs, with high training speed and impressive performance (Journal of Chemical Information and Modeli…
  ☆15Updated last month
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 3 weeks ago
• Profluent-AI / proseLM-public
  Adapting protein language models for structure-conditioned design
  ☆35Updated 3 months ago
• Graylab / GeoDock
  Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.
  ☆84Updated 3 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆25Updated 8 months ago