Alternatives and similar repositories for COMA:

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

• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• micahwang / RELATION
  ☆15Updated 2 years ago
• 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
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• yydiao1025 / MacFrag
  ☆24Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated last year
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• biomed-AI / DRlinker
  ☆23Updated 2 years ago
• prokia / deepHops
  source code for deppHop
  ☆35Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• Hyunseung-Kim / molGCT
  ☆25Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆24Updated 2 years ago
• molML / traversing_chem_space
  ☆22Updated 7 months ago
• zhangruochi / MolFeSCue
  ☆11Updated 9 months ago
• LindeSchoenmaker / SMILES-corrector
  ☆25Updated 11 months ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆27Updated 3 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆26Updated 11 months ago
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 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
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆37Updated last year
• sdecesco / CNS_MPO
  Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score
  ☆10Updated 6 years ago
• hnlab / BindingNet
  ☆23Updated 8 months ago