Alternatives and similar repositories for BAL:

Users that are interested in BAL are comparing it to the libraries listed below

• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆17Updated 11 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• emmijokinen / mgpfusion
  mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…
  ☆15Updated 6 years ago
• sokrypton / tf_proteins
  some tools for working with protein (PDB) files in tensorflow
  ☆11Updated 5 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆32Updated last year
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆21Updated last week
• cyclica / deriver
  ☆10Updated last year
• CSBG-LSU / BionoiNet
  Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
  ☆20Updated 3 years ago
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 2 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆41Updated last year
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated 5 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 4 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• agrybauskas / rotag
  A collection of tools that generate and analyse side-chain rotamer libraries
  ☆10Updated last week
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆20Updated last year
• haddocking / BM5-clean
  Docking benchmark 5 - cleaned and ready to use for HADDOCK
  ☆13Updated 2 years ago
• Shen-Lab / CPAC
  [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction
  ☆15Updated 10 months ago
• DLab / RIP-MD
  ☆15Updated 6 years ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆22Updated 2 years ago
• oxpig / STRIFE
  ☆16Updated 2 years ago
• kthrn22 / Predict-Binding-Affinity-using-GNN
  Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…
  ☆11Updated 2 years ago
• 595693085 / ProteinDescriptor
  a protein descriptor for site prediction
  ☆16Updated 5 years ago
• philspence / gendock
  Python package for virtual screening of generated molecules using autodock-vina and tensorflow
  ☆14Updated 4 years ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆19Updated 5 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆13Updated 3 months ago
• yangkevin2 / lsc_experiments
  Scripts for running lsc model on other datasets
  ☆13Updated 5 years ago
• Kortemme-Lab / ddg
  A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.
  ☆17Updated 9 years ago