Alternatives and similar repositories for MGA:

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

• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆29Updated 2 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• ComputArtCMCG / PLANET
  ☆58Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• anny0316 / GEOM-CVAE
  ☆15Updated 3 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 4 months ago
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆21Updated last week
• JU-HuaY / MFR
  ☆10Updated last year
• mldlproject / 2021-iCYP-MFE
  Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…
  ☆17Updated last year
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• micahwang / RELATION
  ☆16Updated 2 years ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆32Updated 2 years ago
• wyji001 / Point-Cloud
  ☆21Updated 3 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• guaguabujianle / GIGN
  ☆43Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• kotori-y / Scopy
  An integrated negative design python library for desirable HTS/VS database design
  ☆45Updated 2 years ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆19Updated 2 years ago
• mindrank-ai / PharmaBench
  ☆37Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆87Updated 5 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆65Updated 10 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆33Updated last week
• DrugAI / ACNet
  ☆14Updated 2 years ago
• songleee / LS-MolGen
  A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation
  ☆38Updated last year
• guaguabujianle / EHIGN_PLA
  ☆20Updated 11 months ago