Alternatives and similar repositories for SMILESbasedSimilarityKernels:

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

• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 4 years ago
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆16Updated 11 years ago
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 4 years ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 6 years ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆27Updated 3 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆25Updated 2 years ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• LBBSoft / DeepCDA
  DeepCDA
  ☆13Updated 4 years ago
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆42Updated 5 years ago
• totient-bio / gatnn-vs
  Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning
  ☆21Updated 3 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆24Updated 2 years ago
• DS3Lab / RosENet
  ☆36Updated 3 years ago
• eloyfelix / blog_notebooks
  blogpost notebooks
  ☆20Updated 4 years ago
• sirimullalab / KinasepKipred
  Model to predict kinase-ligand pKi values.
  ☆12Updated last year
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆49Updated last year
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆66Updated 3 years ago
• FangpingWan / DeepCPI
  ☆15Updated 4 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• lhm30 / PIDGINv3
  Protein target prediction using random forests and reliability-density neighbourhood analysis
  ☆40Updated 4 years ago
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 4 years ago
• MartinThoma / propy3
  A Python 3 version of the protein descriptor package propy
  ☆39Updated last year
• MahaThafar / Affinity2Vec
  Drug-target binding affinity prediction using representation learning, graph mining, and machine learning
  ☆24Updated 2 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆17Updated 2 months ago
• cyclica / deriver
  ☆10Updated last year