Pinned Repositories
a3fe
Automated Adaptive Absolute alchemical Free Energy calculator
Automated-ABFE-Paper
Inputs and code to reproduce the results and analysis from "Automated Adaptive Absolute Binding Free Energy Calculations"
BBB-PEP-Prediction
This project contains the code and dataset for BBB peptides prediction
Computer_aided_drug_discovery_kit
This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.
conv_visualizer
conv_visualizer
CS50P_examples
Discovery_of_CDK9_Inhibitors
Discovery_of_LCK_Inhibitors
This repository contains key files and data for the article "Discovery of A Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking". Our work focused on finding new ligands for lymphocyte-specific protein tyrosine kinase (LCK).
MEDIAR
(NeurIPS 2022 CellSeg Challenge - 1st Winner) Open source code for "MEDIAR: Harmony of Data-Centric and Model-Centric for Multi-Modality Microscopy"
Scopy
An integrated negative design python library for desirable HTS/VS database design.
rez3vil's Repositories
rez3vil/Scopy
An integrated negative design python library for desirable HTS/VS database design.
rez3vil/a3fe
Automated Adaptive Absolute alchemical Free Energy calculator
rez3vil/Automated-ABFE-Paper
Inputs and code to reproduce the results and analysis from "Automated Adaptive Absolute Binding Free Energy Calculations"
rez3vil/BBB-PEP-Prediction
This project contains the code and dataset for BBB peptides prediction
rez3vil/Computer_aided_drug_discovery_kit
This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.
rez3vil/conv_visualizer
conv_visualizer
rez3vil/CS50P_examples
rez3vil/Discovery_of_CDK9_Inhibitors
rez3vil/Discovery_of_LCK_Inhibitors
This repository contains key files and data for the article "Discovery of A Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking". Our work focused on finding new ligands for lymphocyte-specific protein tyrosine kinase (LCK).
rez3vil/MEDIAR
(NeurIPS 2022 CellSeg Challenge - 1st Winner) Open source code for "MEDIAR: Harmony of Data-Centric and Model-Centric for Multi-Modality Microscopy"
rez3vil/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
rez3vil/OpenVS
Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
rez3vil/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
rez3vil/tl_kinome_profiling
Transfer Learning Approaches for Kinome Selectivity Profiling
rez3vil/workshop