Alternatives and similar repositories for PatentNetML

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

• 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
• DrugAI / ACNet
  ☆16Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆32Updated 3 months ago
• mindrank-ai / PharmaBench
  ☆46Updated last year
• conghaowang / GLDM
  ☆19Updated 8 months ago
• LBBSoft / DeepCDA
  DeepCDA
  ☆15Updated 5 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• micahwang / RELATION
  ☆17Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆64Updated last year
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆56Updated last month
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 9 months ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆21Updated last month
• smu-tao-group / ADMET_XGBoost
  Accurate ADMET Prediction with XGBoost
  ☆39Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• idrugLab / FG-BERT
  Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
  ☆28Updated last year
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• guaguabujianle / GIGN
  ☆45Updated 2 years ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆34Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated last year
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆15Updated 10 months ago
• songleee / LS-MolGen
  A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation
  ☆38Updated 4 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• gregory-kyro / ChemSpaceAL
  ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
  ☆16Updated last year
• jidushanbojue / Protac-invent
  A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data
  ☆14Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago