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Name: Brenda Ferrari
Type: User
Bio: Chemistry PhD student - Python and Machine Learning student
Name: Brenda Ferrari
Type: User
Bio: Chemistry PhD student - Python and Machine Learning student
Script developed to run the commands of the "Lysozyme in Water" tutorial in gromacs in different force fields at once
AutoPaDELPy provides an automated user interface for PaDELPy software. It was created to provide a more friendly interaction with the software for the final user.
A simple, beautiful, and powerful Jekyll theme for blogs.
New chemdata website - Under development
This repository contains all the projects related to Chemical Space Analysis.
GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
HBondAuto is a program developed to calculate and automate the hydrogen bond analysis in Molecular Dynamics Simulations.
Assigns the head and tail atom position in a monomeric unit or in a polymerization reaction, both represented in SMILES string format
Script developed to build an interactive molecular similarity network to visualize Tanimoto similarity between molecules in a dataset.
Script developed to plot any sort of molecular data with molecular compound images hovering in graph.
Script developed to run the commands of the "Lysozyme in Water" tutorial in gromacs.
This tool performs the polymerization of monomers assigning the head and tail atom positions at the oligomer.
This jupyter code was created to share the model of an interactive graph to present the results of a Machine Learning Classification model.
PCAauto is a script developed to automate the PCA analysis of Molecular Dynamics.
Script developed to transform the amino acid smiles to one letter code for later analysis
PORCUPINEplot is a script developed to automate the generation of porcupine plots of PCA analysis.
Implementation of the Transformer architecture for application in generation of reaction outcomes (Not for production, studies only)
Script developed to extract information from xml files including chemical reactions from US patents (1976-Sep2016) curated by Daniel M Lowe.
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.