Alternatives and similar repositories for ML_projects:

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

• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 7 months ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆14Updated 4 years ago
• ikmckenz / adme-pred-py
  Python implementation of common ADME properties.
  ☆32Updated last year
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 2 years ago
• isidroc / RDkitTutorial
  Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…
  ☆14Updated 10 years ago
• volkamerlab / ai_in_medicine
  ☆33Updated 2 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆33Updated 4 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆45Updated 2 years ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆55Updated last year
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆30Updated 5 years ago
• luyang93 / Gromacs
  gromacs(Protein-Ligand Complex)
  ☆11Updated 2 years ago
• isidroc / bioalerts
  Derivation of structural alerts from bioactivity data sets
  ☆29Updated 8 years ago
• quantaosun / Ambertools-OpenMM-MD
  Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…
  ☆34Updated 6 months ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 3 years ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆48Updated 6 years ago
• opensourceantibiotics / murligase
  Everything to do with the Mur Ligase Project
  ☆29Updated 2 years ago
• sdecesco / targetDB
  TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…
  ☆30Updated 6 months ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆50Updated 4 months ago
• MunibaFaiza / cheminformatics
  Perform operations on chemical structures using Python.
  ☆13Updated 2 years ago
• Team-SKI / Publications
  Supporting Information of Publications
  ☆14Updated 5 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 4 years ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆30Updated 4 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated 3 months ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• jamesgleave / DeepDockingGUI
  ☆33Updated 2 years ago
• JanainaCruz / DeepVS
  Boosting Docking-Based Virtual Screening with Deep Learning
  ☆31Updated 4 years ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆13Updated 4 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year