rflameiro
PhD student using Python and machine learning for cheminformatics research in medicinal chemistry.
Pinned Repositories
Bayes_Error_Estimator
An Optimal Estimator of Bayes Error Rate Based on Chebyshev Polynomials
beta-lactamase
code
Compilation of R and Python programming codes
Computational-ADME
Chemprop MPNN
dissecting_hype
Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
projects
Projects to develop programming, data analysis and cheminformatics skills.
Python_e_Quiminformatica
Tutoriais sobre Python, Aprendizado de Máquina e Quiminformática (em português)
RandomMatrixClassifier
Random Matrix Classifier applied to drug discovery
SELFIES_workshop_13-08-2021
rflameiro's Repositories
rflameiro/RandomMatrixClassifier
Random Matrix Classifier applied to drug discovery
rflameiro/SELFIES_workshop_13-08-2021
rflameiro/Bayes_Error_Estimator
An Optimal Estimator of Bayes Error Rate Based on Chebyshev Polynomials
rflameiro/beta-lactamase
rflameiro/code
Compilation of R and Python programming codes
rflameiro/Computational-ADME
Chemprop MPNN
rflameiro/dissecting_hype
Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
rflameiro/mpro_notebook
rflameiro/projects
Projects to develop programming, data analysis and cheminformatics skills.
rflameiro/Python_e_Quiminformatica
Tutoriais sobre Python, Aprendizado de Máquina e Quiminformática (em português)
rflameiro/OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
rflameiro/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
rflameiro/shap-hypetune
updated version of shap-hypetune, pull request not accepted yet (11/2023)
rflameiro/TunedM2M
GNN, low data, regression