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
• 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 11 months ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 3 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• SchifferLab / ROBUST
  Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.
  ☆14Updated 2 years ago
• smog-server / OpenSMOG
  OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
  ☆12Updated this week
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• floWneffetS / tutorial_dcTMD
  Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
  ☆10Updated last year
• Novartis / MoaBox
  A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
  ☆17Updated 5 years ago
• ahmetrifaioglu / DEEPScreen
  Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds
  ☆10Updated 5 years ago
• ncordeirfcup / QSAR-Co-X
  ☆14Updated 2 years ago
• xiaotaw / chembl
  Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
  ☆15Updated 7 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆18Updated 3 years ago
• arashtayyebi / prediction-of-water-solubility
  Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"
  ☆12Updated 2 years ago
• DGadaleta88 / data_curation_workflow
  ☆13Updated 10 months ago
• phi-grib / flame
  Modeling framework for eTRANSAFE project
  ☆13Updated 2 months ago
• i-shah / ml-organ-tox
  Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data
  ☆10Updated 8 years ago
• mcsorkun / AqSolPred-web
  Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
  ☆10Updated 11 months ago
• BeckResearchLab / PyMolSAR
  A Python toolkit to compute molecular features and predict activities and properties of small molecules
  ☆21Updated 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
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• PaccMann / paccmann_chemistry
  Generative models of chemical data for PaccMann^RL
  ☆14Updated 2 years ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆17Updated 6 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 4 years ago
• StefanKohlbacher / QuantPharmacophore
  Code available for the quantitative pharmacophores
  ☆12Updated 3 years ago
• CompBiochBiophLab / sbm-openmm
  Python library to run structure based model (SBM) simulations using the OpenMM toolkit
  ☆23Updated 3 years ago
• jenniening / DTNN_7ib
  This is a deep learning model used to predict molecular energy
  ☆13Updated 6 years ago
• FredrikSvenssonUK / tox21_conformal
  ☆12Updated 4 years ago