diogomart Goto Github PK
Name: Diogo
Type: User
Company: Scripps Research
Twitter: diogo_stmart
Location: San Diego
Name: Diogo
Type: User
Company: Scripps Research
Twitter: diogo_stmart
Location: San Diego
Set of 42 protein-ligand complexes for testing search algorithms and docking runtime
AutoDock for GPUs using OpenCL
AutoDock Vina
The chemistry library you were waiting for
Data and scripts for comprehensive benchmark of conformer relative energies
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
For participation in https://paginas.fe.up.pt/~hgc2011/
A new Python package to prepare small molecules for docking.
Estimates (1) free energy of hydration, (2) free energy of solvation in cyclohexane and (3) cyclohexane/water partition coefficient.
Symmetry corrected RMSD powered by OpenBabel graph isomorphism
Contains relevant project files to publicly available tautomer database "Tautobase"
Converts an xyz file to an RDKit mol object
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.