Pinned Repositories
MyPueblo
amide-coupling
Cheminformatics
All the handy little scripts for cheminformatics related projects
ChemX
Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures of target compound with those found in other synthetic molecules.
DataVisualizations
GoogleExcelAddOn
photo-labeling
pks-enumerator
PKS Enumerator is a cheminformatics tool to generate virtual chemical libraries of macrocycles or macrolides. The innovation of our enumeration approach relies on its ability to create extremely large and diverse chemical libraries by manipulating and constraining key structural parameters of the enumerated compounds, such as the type, number, and redundancy of structural motifs in each compound or the overall diversity of the library.
RecipeGenie
SIME
SIME (Synthetic Insight-based Macrolide Enumerator): Scaffold-based enumeration method/software to design in-silico macrolide libraries.
zinph's Repositories
zinph/Cheminformatics
All the handy little scripts for cheminformatics related projects
zinph/ChemX
Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures of target compound with those found in other synthetic molecules.
zinph/DataVisualizations
zinph/pks-enumerator
PKS Enumerator is a cheminformatics tool to generate virtual chemical libraries of macrocycles or macrolides. The innovation of our enumeration approach relies on its ability to create extremely large and diverse chemical libraries by manipulating and constraining key structural parameters of the enumerated compounds, such as the type, number, and redundancy of structural motifs in each compound or the overall diversity of the library.
zinph/SIME
SIME (Synthetic Insight-based Macrolide Enumerator): Scaffold-based enumeration method/software to design in-silico macrolide libraries.
zinph/amide-coupling
zinph/AI_networks
zinph/MacrolactoneDB
zinph/mordred_mrc
zinph/NetBuilder
Create fully connected neural networks that can be trained in just a few lines of code
zinph/photo-labeling
zinph/RecipeGenie
zinph/GoogleExcelAddOn
zinph/AI-Counselor-Pet
zinph/beginners-pytorch-deep-learning
Repository for scripts and notebooks from the book: Beginner’s Guide to Using PyTorchfor Deep Learning
zinph/data-mining
zinph/DataPreprocessing
zinph/MyPueblo
zinph/zinph_libreoffice
Read-only LibreOffice core repo - no pull request