Alternatives and similar repositories for B3clf

Users that are interested in B3clf are comparing it to the libraries listed below

• cyclica / deriver
  ☆11Updated 2 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• larngroup / De-Novo-Drug-Design
  Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design
  ☆14Updated 4 years ago
• ecrl / alvadescpy
  A Python wrapper for alvaDesc software
  ☆10Updated last year
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆20Updated 3 years ago
• isidroc / RDkitTutorial
  Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…
  ☆14Updated 11 years ago
• ncordeirfcup / QSAR-Co-X
  ☆14Updated 2 years ago
• marcossantanaioc / De_novo_design_SARSCOV2
  Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…
  ☆14Updated 2 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 4 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
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆14Updated 5 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• phi-grib / flame
  Modeling framework for eTRANSAFE project
  ☆13Updated 4 months ago
• SchifferLab / ROBUST
  Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.
  ☆15Updated 2 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆19Updated 4 years ago
• kmansouri / QSAR-ready
  Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
  ☆22Updated last year
• DGadaleta88 / data_curation_workflow
  ☆13Updated last year
• xiaotaw / chembl
  Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
  ☆15Updated 7 years ago
• arashtayyebi / prediction-of-water-solubility
  Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"
  ☆13Updated 2 years ago
• i-shah / ml-organ-tox
  Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data
  ☆10Updated 8 years ago
• ci-lab-cz / ibenchmark
  Benchmark interpretation of QSAR models
  ☆15Updated 3 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• DeltaGroupNJUPT / QuickVina2-GPU
  A heterogeneous OpenCL implementation of QuickVina2
  ☆14Updated 2 years ago
• Team-SKI / snippets
  Snippets for common computer-aided drug design tasks
  ☆10Updated 8 years ago
• srijitseal / PKSmart
  PKSmart: Predicting PK properties using Chemical Structures
  ☆18Updated 2 months ago
• 12rajnish / DeePred-BBB
  DeePred-BBB is a deep Neural network-based model for prediction of blood brain barrier permeability of compounds using Simplified Molecul…
  ☆25Updated 2 years ago
• larngroup / GAN-Drug-Generator
  Generative Adversarial Network: Optimization in Targeted Design
  ☆15Updated 3 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• DIFACQUIM / ECIF
  Extended Connectivity Interaction Features
  ☆31Updated 4 years ago
• ETHmodlab / molgrad
  Coloring molecules with explainable artificial intelligence
  ☆16Updated 4 years ago