isidroc

EMBL-EBICambridge, UK

Pinned Repositories

bias_variance_capacity
Language:Python0 1 00
bioalerts
Derivation of structural alerts from bioactivity data sets
Language:Jupyter Notebook29 2 110
CC-2-RMarkdown
Using R Markdown to construct reproducible code
Language:R0 2 00
conformal
Conformal prediction in R
Language:R31 5 47
Current_Protocols_Cytotoxicity
Code to run Basic Protocol 2: Cytotoxicity Modeling
Language:TSQL1 0 01
FingerprintCalculator
Morgan Fingerprint Calculator
Language:Python4 1 62
kekulescope
Code for KekuleScope
Language:Python11 2 19
QAFFP_regression
QAFFP for regression tasks
Language:Python2 1 03
RDkitTutorial
Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive modeling
Language:Python14 1 04
SOMcpp
SOM algorithm in C++
Language:C++2 2 11

isidroc's Repositories

isidroc/conformal
Conformal prediction in R
Language:R31 5 47
isidroc/bioalerts
Derivation of structural alerts from bioactivity data sets
Language:Jupyter Notebook29 2 110
isidroc/RDkitTutorial
Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive modeling
Language:Python14 1 04
isidroc/kekulescope
Code for KekuleScope
Language:Python11 2 19
isidroc/FingerprintCalculator
Morgan Fingerprint Calculator
Language:Python4 1 62
isidroc/QAFFP_regression
QAFFP for regression tasks
Language:Python2 1 03
isidroc/SOMcpp
SOM algorithm in C++
Language:C++2 2 11
isidroc/Current_Protocols_Cytotoxicity
Code to run Basic Protocol 2: Cytotoxicity Modeling
Language:TSQL1 0 01
isidroc/bias_variance_capacity
Language:Python0 1 00
isidroc/CC-2-RMarkdown
Using R Markdown to construct reproducible code
Language:R0 2 00
isidroc/CCLP_OS
CCLP_OS
1 0
isidroc/conda-buildpack-rdkit
conda buildpack installing the rdkit
Language:Shell1 0
isidroc/modelvalidation
Model Validation for Regression (python)
Language:Python1 0