josecarlosgomezt

Pinned Repositories

DILI_clinical_models
Clinical hepatotoxic data analysis, QSAR clinical side-effects model building and evaluation, and side-effect importance for DILI prediction
Language:Jupyter Notebook11
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Language:Python00
dlearn
00
eTOXlab
Language:Python00
flame
Modeling framework for eTransafe project
Language:Python00
flame_tools
Some functions to support model building with FLAME
Language:Python00
jupyter-test
Language:Jupyter Notebook00
nonconformist
Python implementation of the conformal prediction framework.
Language:Python00
PIGNet
PIGNet source code
Language:Python00
structure_search
Language:Jupyter Notebook00

josecarlosgomezt's Repositories

josecarlosgomezt/PIGNet
PIGNet source code
Language:Python
josecarlosgomezt/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Language:Python
josecarlosgomezt/dlearn
josecarlosgomezt/nonconformist
Python implementation of the conformal prediction framework.
Language:Python
josecarlosgomezt/structure_search
Language:Jupyter Notebook
josecarlosgomezt/flame_tools
Some functions to support model building with FLAME
Language:Python
josecarlosgomezt/DILI_clinical_models
Clinical hepatotoxic data analysis, QSAR clinical side-effects model building and evaluation, and side-effect importance for DILI prediction
Language:Jupyter Notebook11
josecarlosgomezt/flame
Modeling framework for eTransafe project
Language:Python
josecarlosgomezt/jupyter-test
Language:Jupyter Notebook
josecarlosgomezt/eTOXlab
Language:Python