livazquezs Goto Github PK
Name: Luis Itza Vazquez-Salazar
Type: User
Bio: Chemist interest on physics...or the other way around?
Name: Luis Itza Vazquez-Salazar
Type: User
Bio: Chemist interest on physics...or the other way around?
A curated list of Cheminformatics libraries and software.
A curated list of Python packages related to chemistry
Latex Beamer Template for Presentations (University of Basel, Department of Mathematics and Computer Science)
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Lightweight, useful implementation of conformal prediction on real data.
Potential energy surface for H<sub>2</sub><sup>+</sup>--He
Repository for the code of the $\Delta$-learning predictions of the hydra challenge
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
Martini 3 small-molecule database
Potential energy surface of HeH2P using MP2 method
Code for training PhysNet models
Implementation of Deep Evidential Regression method for the PhysNet model
Jupyter Notebooks for Python Introduction, University of Basel, May 2020
An official PyTorch implementation of "Regression Prior Networks" for effective runtime uncertainty estimation.
Supporting information associated with my PhD thesis.
Contains relevant project files to publicly available tautomer database "Tautobase"
Files for publication on JCTC
Converts and xyz file to an RDKit mol object
Python script to convert a standard xyz to orca internal coordinates format
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.