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Name: Piero
Type: User
Name: Piero
Type: User
Simple python script to convert cbf files into an h5 file.
Python code to parse a .cdxml file containing surface reactions
Data processing and simulation for serial crystallography
A python tool to parse the output of indexamajig
Free Data Engineering course!
Δ-QML for medicinal chemistry
LAMMPS input files to compute DH in water
Develop an indexer for fast feedback in protein crystallography experiments
A fast indexer
i-PI: a universal force engine
Autoencoder network for learning a continuous representation of molecular structures.
A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling
Machine learning tutorials (PyTorch)
Tools for the Probabilistic Analysis of Molecular Motifs method
Internal COSMO developments of PLUMED2
Python wrapper for the GitLab API
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
Script to transform a list of 2D Bragg rflection centroids to the reciprocal space
Toolbox
Few useful tools to prepare rapidly PTMD simulations for i-PI from templates
Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in slab geometry
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.