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Name: Daniele Padula
Type: User
Company: University of Siena
Location: Italy
Name: Daniele Padula
Type: User
Company: University of Siena
Location: Italy
A tool for retrosynthetic planning
Electronic Supporting Information for our paper modelling two small-molecule Bulk Heterojunctions.
Personal Scripts
Parsers and algorithms for computational chemistry logfiles
A python package to run Chemical Vapour Deposition MD simulations with GROMACS.
A GROMACS implementation of the ClayFF force field
Linux configuration files for various shells
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2021 supported).
A Program for the calculation of electronic couplings with various methods
LaTeX scripts to generate a Book of Abstracts and Participant Badges for a conference organisation.
Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
A python implementation of the Analytic Overlap Method (AOM) utilizing CP2K DFT calculations
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
PyScopus
A code to generate atomic structure with symmetry
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
A program for normal modes analyses
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.