tsenapathi Goto Github PK
Name: Tharindu Senapathi
Type: User
Company: University of Sri Jayewardenepura
Location: Colombo, Sri Lanka
Name: Tharindu Senapathi
Type: User
Company: University of Sri Jayewardenepura
Location: Colombo, Sri Lanka
A distributed compute and database platform for quantum chemistry.
Workshop teaching QMMM using Amber
The official sources for the RDKit library
This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.
Rich is a Python library for rich text and beautiful formatting in the terminal.
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
SchNet - a deep learning architecture for quantum chemistry
SchNetPack - Deep Neural Networks for Atomistic Systems
Molecular Property Prediction using GP with a SOAP kernel
A primer on software development best practices for computational chemistry
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Tessellate - Quantifying ring conformation
Accurate Neural Network Potential on PyTorch
A collection of Galaxy-related training material
clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
Tutorials for running MD simulations with GROMACS and generating MDFPs
List of tools included in https://usegalaxy.eu
Weighted Ensemble simulation framework in Python
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.