drrdom Goto Github PK
Name: Pavel
Type: User
Location: Olomouc, Czech Republic
Blog: http://qsar4u.com
Name: Pavel
Type: User
Location: Olomouc, Czech Republic
Blog: http://qsar4u.com
Useful scripts to manipulate SQLite chemical databases
CReM: chemically reasonable mutations framework
Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating small-molecule ionization states.
Package of personal R functions
toolkit for prediction pKa values of small molecules via graph convolutional networks
scripts to work with PLANTS docking software and its output
3D pharmacophore signatures and fingerprints
Interaction Fingerprints for protein-ligand complexes and more
The shiny app to support challenges/competitions
RDKit scripts
The official sources for the RDKit library
rdkit scripts making life easier
Analysis of fragments contributions calculated by SPCI software
Python scripts to handle S4MPLE docking output
Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors
Tool for mining structure-property relationships from chemical datasets
scripts for structural interpretation of QSAR models
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.