rcrehuet Goto Github PK
Name: Ramon Crehuet
Type: User
Company: CSIC
Twitter: rcrehuet
Location: Barcelona
Blog: www.iqac.csic.es/qtc
Name: Ramon Crehuet
Type: User
Company: CSIC
Twitter: rcrehuet
Location: Barcelona
Blog: www.iqac.csic.es/qtc
Integrating Molecular Simulation and Experimental Data
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Parsers and algorithms for computational chemistry logfiles
Computational chemistry logfiles used as regression tests by cclib
Making Protein folding accessible to all via Google Colab!
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Deep learning for molecules and materials book
Material pel l'assignatura d'Eines Informàtiques (part de Python) del Master Modelització Multiescala
A collection of *fold* tools
Force Fields
Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
Several notebooks dealing with aspects of science, numerical computations, julia, numpy and scipy.
Listing of papers about machine learning for proteins.
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Enhanced sampling methods for molecular dynamics simulations
HTMD files for the PCNA simulation
aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)
Material for the Python for Scientists course
Course material for the UB postgraduate course
Material for the Python for scientists 2019 taught at the Facultat de Química (UB)
Material with the Python for Scientists course taught at the IQAC (CSIC)
Material with the Python for Scientists course taught at the ICIQ.
Lecture notes (in IPython Notebook format) on Reproducible Science And Modern Scientific Software
Data and ipython notebooks on SAXS fitting
Files for the CAMPARI simulation of the spd1 PCNA complexes
Automatically exported from code.google.com/p/ss-map
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.