Alternatives and similar repositories for BBB_calculator

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

• iwatobipen / vs_vina
  ☆14Updated 3 years ago
• BML-cbnu / DrugGCN
  Predict drug response with graph convolutional network.
  ☆9Updated 4 years ago
• 595693085 / ProteinDescriptor
  a protein descriptor for site prediction
  ☆16Updated 5 years ago
• LBLQMM / MACAW
  ☆14Updated 2 years ago
• MahaThafar / DTi2Vec
  This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …
  ☆12Updated 3 years ago
• haddocking / prodigy-lig
  Prediction of Protein-Small molecule binding affinities
  ☆17Updated 8 months ago
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆22Updated 3 years ago
• dkoes / GNINA-1.0
  Paper for release
  ☆11Updated 3 years ago
• zqfang / drugai
  Graph Neural Networks for Drug Efficacy Prediction
  ☆11Updated 2 years ago
• SMVDGroup / SCORCH
  Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…
  ☆17Updated 2 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 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
• sirimullalab / KinasepKipred
  Model to predict kinase-ligand pKi values.
  ☆12Updated last year
• CBIIT / KDS
  KDS software for Kinase Drug Selectivity
  ☆11Updated 2 years ago
• totient-bio / gatnn-vs
  Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning
  ☆21Updated 4 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• pb3lab / workshops
  Workshops on Computational Biology organized by our lab
  ☆10Updated last year
• Svvord / visar
  ☆13Updated 5 years ago
• chembl / chembl_multitask_model
  Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
  ☆17Updated 4 months ago
• oddt / notebooks
  Open Drug Discovery Toolkit (ODDT) Notebooks 101
  ☆19Updated 7 years ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆18Updated 6 years ago
• Cardypro / StructureAnalyzer
  A program analyzing 3D protein structures from PDB to generate 2D binding motifs
  ☆15Updated 3 years ago
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 2 years ago
• AstraZeneca / StarGazer
  StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…
  ☆35Updated last year
• oxpig / fragment-ranking
  A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …
  ☆9Updated 2 years ago
• michal-brylinski / efindsite
  Ligand binding site prediction and virtual screening
  ☆12Updated 6 years ago
• BrooksResearchGroup-UM / FASTDock
  FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
  ☆18Updated 2 years ago
• NRGlab / Surfaces
  ☆14Updated 4 months ago
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆20Updated 7 months ago
• LPDI-EPFL / Bottom-up-de-novo-design
  ☆14Updated 5 years ago