jeffrichardchemistry
Master's degree in theoretical chemistry and nuclear magnetic resonance. Experience in data science with ensemble models,neural networks(MLP, CNN) and QSAR/QSPR
Goiânia - Goiás - Brazil
Pinned Repositories
calcboltzmann
A simple GUI for boltzmann calculations
cronotipy
A simple customizable notification scheduler created using the python language and the pyqt5 framework for Linux systems.
molbokeh
A new python package to visualize molecules in dots hover
pyADA
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
pyCheckmol
Application for detecting functional groups of a molecules.
pyECLAT
A package for association analysis using the ECLAT method.
pySiRC
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
SpectraFP
A package to perform fingerprints from spectroscopy datas.
spyn
A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.
WordFP
A new way to encode words and similarity calculate
jeffrichardchemistry's Repositories
jeffrichardchemistry/pyECLAT
A package for association analysis using the ECLAT method.
jeffrichardchemistry/pyADA
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
jeffrichardchemistry/pySiRC
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
jeffrichardchemistry/pyCheckmol
Application for detecting functional groups of a molecules.
jeffrichardchemistry/SpectraFP
A package to perform fingerprints from spectroscopy datas.
jeffrichardchemistry/spyn
A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.
jeffrichardchemistry/molbokeh
A new python package to visualize molecules in dots hover
jeffrichardchemistry/cronotipy
A simple customizable notification scheduler created using the python language and the pyqt5 framework for Linux systems.
jeffrichardchemistry/WordFP
A new way to encode words and similarity calculate
jeffrichardchemistry/DLclass
Classification of cetones and alcohols by Deep Learning using images
jeffrichardchemistry/hangmangame
A hangman game for terminal
jeffrichardchemistry/pynerator
GUI for generating random passwords
jeffrichardchemistry/sgd
An algorithm to performe gradient descent univariate
jeffrichardchemistry/template1html5css
A simple template for websites using W3 framework
jeffrichardchemistry/learn_languages
Aprender o máximo de linguagens de programação que eu conseguir.
jeffrichardchemistry/pyopls
A Python 3 implementation of orthogonal projection to latent structures
jeffrichardchemistry/PyssView
A Simple GUI application to organize and store accounts/passwords.
jeffrichardchemistry/scripyt-MWFN
Script to scrap text of multiwfn output
jeffrichardchemistry/toxicidade_QSAR
Análise QSAR de toxicidade de compostos em R
jeffrichardchemistry/arquivos
Esse é um repositório para guardar arquivos quaisquer.
jeffrichardchemistry/englishAPP
A simple WEB APP to sample words in english and store
jeffrichardchemistry/Fg_Finder
A python package to identfy functional groups in molecules.
jeffrichardchemistry/hmdbwebscraping
Python script to scraping NMR and other information from HMDB
jeffrichardchemistry/iGAN
Interactive Image Generation via Generative Adversarial Networks
jeffrichardchemistry/jeffrichardchemistry
About Me
jeffrichardchemistry/loginqt2sql
Simples sistema de login/registro integrado ao banco de dados SQLite3
jeffrichardchemistry/restricted-boltzmann-machines
Restricted Boltzmann Machines in Python.
jeffrichardchemistry/scrapingNMRDB
A script to get NMR 1H and 13C data through webscraping
jeffrichardchemistry/steroidfinder
An app to predict steroids in massas spectra
jeffrichardchemistry/streamlit-example
Example Streamlit app that you can fork to test out share.streamlit.io