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Name: Raúl Pérez-Soto
Type: User
Company: Colorado State University
Bio: Postdoctoral researcher at @BioE-KimLab in Colorado State University.
Name: Raúl Pérez-Soto
Type: User
Company: Colorado State University
Bio: Postdoctoral researcher at @BioE-KimLab in Colorado State University.
Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer generation, 2) QM input file creation, 3) post-processing of QM output files, 4) generation of xTB, DFT and RDKit descriptors
:arrow_right_hook: QM/MM interfacing in Python :leftwards_arrow_with_hook:
This repo only contains python talks that I have seen and somehow I recommend, either as a basic python knowledge, advanced/detailed, or simply amusing talks. It also contains references to Blogs I have read and found useful as well as Books or other sources.
Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an intermediate layer between the user and the mathematical model that is then simulated to obtain the kinetic data. It provides a python-based API as well as command-line scripts for generating the model.
A lightweight package of two classes for simple parsing of unimolecular and multimolecular chemical xyz files.
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.