Alternatives and similar repositories for GASA

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

• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆20Updated 4 months ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆16Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆18Updated 4 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆36Updated last year
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated 2 years ago
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆47Updated last year
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• aivant / ShapeLinker
  ☆23Updated last year
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 2 months ago
• duaibeom-zz / MolFinder
  ☆17Updated 4 years ago
• dkoes / conformer_analysis
  ☆17Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated last month
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆33Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆38Updated 4 years ago
• rdkit / PREFER
  ☆28Updated 2 years ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆44Updated 3 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 3 months ago
• molML / traversing_chem_space
  ☆25Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated last year