Alternatives and similar repositories for Deep-learning-classification-based-model-for-screening-compounds-with-hERG-inhibitory-activity

Users that are interested in Deep-learning-classification-based-model-for-screening-compounds-with-hERG-inhibitory-activity are comparing it to the libraries listed below

• shub-bioinfo / Gromacs-scripts
  Gromacs molecular dynamics simulation analysis scripts
  ☆10Updated 3 years ago
• ShirleyWISiu / LigTMap
  LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.
  ☆16Updated 4 years ago
• PrincetonUniversity / running_gromacs
  ☆11Updated 2 months ago
• globus-labs / toxicity-prediction
  Collection of machine learning models for predicting toxicity of molecules
  ☆12Updated 5 years ago
• arhamshah / SolubilityPrediction
  A web based application predicts water solubility of any given chemical compound known or unknown
  ☆14Updated 4 years ago
• jingry / autoBioSeqpy
  a deep learning tool for the classification of biological sequences
  ☆18Updated 5 months ago
• phi-grib / flame
  Modeling framework for eTRANSAFE project
  ☆13Updated 4 months ago
• edbeard / pyosra
  Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver
  ☆10Updated 5 years ago
• MobleyLab / off-ffcompare
  Compare molecular structures after energy minimization in various force fields.
  ☆10Updated 5 years ago
• isidroc / kekulescope
  Code for KekuleScope
  ☆11Updated 3 years ago
• tony-blake / MD-Simulation
  A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…
  ☆14Updated last year
• NCBI-Hackathons / drugdisco
  A high throughput automated drug discovery pipeline.
  ☆29Updated 7 years ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆20Updated 7 years ago
• jrash / chemmodlab
  chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models
  ☆17Updated last month
• DGadaleta88 / data_curation_workflow
  ☆13Updated last year
• FredrikSvenssonUK / tox21_conformal
  ☆12Updated 4 years ago
• Degiacomi-Lab / JabberDock
  protein docking using a density-based descriptor for atoms charge and dynamics
  ☆14Updated 3 years ago
• busrasavas / gmx_corr
  gmx_corr converts the covariance matrix which is produced by GROMACS covar to cross correlation matrix and creates a heat map figure.
  ☆11Updated 3 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• mimminou / PDBASER
  Protein preparation for MD, made faster and easier !
  ☆14Updated 2 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆17Updated 5 years ago
• wiederm / pkasolver-data
  Data repository for pkasolver
  ☆13Updated 3 years ago
• PhilippJunk / homelette
  A unified and modular interface to homology modelling software
  ☆11Updated 2 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• 3D-e-Chem / kripo
  Command line tool to generate Kripo fingerprints from Protein Data Bank files.
  ☆17Updated 3 years ago
• arashtayyebi / prediction-of-water-solubility
  Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"
  ☆13Updated 2 years ago
• fkaiserbio / fit3d
  🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…
  ☆11Updated 7 years ago
• haichengyi / ACP-DL
  A deep learning model to predict anticancer peptides.
  ☆24Updated 6 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago