Alternatives and similar repositories for Survey_AI_Drug_Discovery:

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

• HannesStark / EquiBind
  EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
  ☆505Updated 2 months ago
• kexinhuang12345 / MolTrans
  MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
  ☆206Updated 2 years ago
• MolecularAI / Reinvent
  ☆350Updated last year
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆410Updated 2 months ago
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆444Updated last year
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆323Updated 4 months ago
• AspirinCode / papers-for-molecular-design-using-DL
  List of Molecular and Material design using Generative AI and Deep Learning
  ☆777Updated this week
• DSPsleeporg / smiles-transformer
  Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…
  ☆331Updated 2 years ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆295Updated last year
• bp-kelley / descriptastorus
  Descriptor computation(chemistry) and (optional) storage for machine learning
  ☆254Updated 6 months ago
• thinng / GraphDTA
  GraphDTA: Predicting drug-target binding affinity with graph neural networks
  ☆249Updated 4 years ago
• jrwnter / cddd
  Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…
  ☆231Updated 2 years ago
• benb111 / awesome-small-molecule-ml
  A curated list of resources for machine learning for small-molecule drug discovery
  ☆218Updated last year
• mattragoza / LiGAN
  Deep generative models of 3D grids for structure-based drug discovery
  ☆230Updated 2 years ago
• MolecularAI / Chemformer
  ☆239Updated 2 weeks ago
• XinhaoLi74 / SmilesPE
  SMILES Pair Encoding: A data-driven substructure representation of chemicals
  ☆196Updated 2 years ago
• EBjerrum / SMILES-enumeration
  SMILES enumeration for QSAR modelling using LSTM recurrent neural networks
  ☆233Updated 3 years ago
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆240Updated last year
• devalab / molgpt
  ☆145Updated last year
• seyonechithrananda / bert-loves-chemistry
  bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
  ☆446Updated 5 months ago
• hkmztrk / DeepDTA
  Source code for "DeepDTA: deep drug-target binding affinity prediction"
  ☆246Updated last year
• drorlab / atom3d
  ATOM3D: tasks on molecules in three dimensions
  ☆306Updated 2 years ago
• wengong-jin / hgraph2graph
  Hierarchical Generation of Molecular Graphs using Structural Motifs
  ☆397Updated 2 years ago
• t7morgen / misato-dataset
  ☆201Updated 7 months ago
• microsoft / FS-Mol
  FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of pr…
  ☆164Updated 2 years ago
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆369Updated 2 years ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆221Updated 3 years ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆254Updated last year
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆87Updated last year
• pcko1 / Deep-Drug-Coder
  A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…
  ☆189Updated 2 years ago