Alternatives and similar repositories for BayeshERG

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

• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• mywang1994 / cligen_gen
  ☆13Updated 8 months ago
• DrugAI / ACNet
  ☆16Updated 3 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 2 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• Abdulk084 / CardioTox
  ☆20Updated 7 months ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• smiles724 / MROT
  ☆12Updated 2 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• joewah / PheSAExamples
  ☆11Updated last year
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆10Updated 4 months ago
• MolFilterGAN / MolFilterGAN
  ☆14Updated 2 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• CQ-zhang-2016 / Rag2Mol
  Structure-based drug design based on Retrieval Augmented Generation
  ☆18Updated 10 months ago
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 3 years ago
• oxpig / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆13Updated last year
• HUBioDataLab / ProtBENCH
  ☆12Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• yifang000 / QADD
  De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment
  ☆14Updated 2 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 5 months ago
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆15Updated 10 months ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• sdecesco / CNS_MPO
  Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score
  ☆11Updated 6 years ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆15Updated 8 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• Hwoo-Kim / DeepBioisostere
  Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
  ☆21Updated last week
• ChloeKong / RG-MPNN
  ☆18Updated 3 years ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 11 months ago
• ghiander / chemprop-jazzy
  Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.
  ☆17Updated 7 months ago
• f-rianjongdee / bbSelect
  ☆12Updated last year