josejimenezluna
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delfta Public
Δ-QML for medicinal chemistry
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guacamol_baselines Public
Forked from BenevolentAI/guacamol_baselinesBaselines models for GuacaMol benchmarks
Python MIT License UpdatedNov 21, 2022 -
xaibench_tf Public
Supporting models and data to doi 10.1021/acs.jcim.1c01163
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molgrad Public
Supporting code for doi 10.1021/acs.jcim.0c01344
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josejimenezluna.github.io Public
Forked from academicpages/academicpages.github.ioGithub Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedMar 10, 2022 -
pyGPGO Public
Bayesian optimization for Python
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EquiBind Public
Forked from HannesStark/EquiBindEquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
Python MIT License UpdatedMar 1, 2022 -
asap Public
Forked from gfxdisp/asapFast and accurate Active SAmpling method for Pairwise comparisons
MATLAB UpdatedJan 3, 2022 -
graph-attribution Public
Forked from google-research/graph-attributionCodebase for Evaluating Attribution for Graph Neural Networks.
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odseq Public
Outlier detection in multiple sequence alignment
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htmd Public
Forked from Acellera/htmdHigh throughput molecular dynamics simulations
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nnet-ts Public
Neural network architecture for time series forecasting.
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ClassImbalanceRedux Public
Python class for training models on imbalanced data using bagging over balanced samples.
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pyplif Public
Automatically exported from code.google.com/p/pyplif
Python GNU General Public License v3.0 UpdatedMar 7, 2016 -
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Simple_APriori Public
Simple implementation of the a-priori algorithm using python. No external libraries required.
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MCMC_tfg Public
Repositorio del código adjunto al TFG de Markov Chain Monte Carlo.
R MIT License UpdatedMay 7, 2015 -
Programacion-C-Clase6 Public
Forked from Programacion-en-c-moderno/Programacion-C-Clase6Material 6 Clase
C GNU General Public License v3.0 UpdatedApr 16, 2015 -
Programacion-C-Clase5 Public
Forked from Programacion-en-c-moderno/Programacion-C-Clase5Material 5 Clase
C GNU General Public License v3.0 UpdatedApr 8, 2015 -
Programacion-C-Clase4 Public
Forked from Programacion-en-c-moderno/Programacion-C-Clase4Material 4 Clase
C GNU General Public License v3.0 UpdatedMar 26, 2015 -
Programacion-C-Clase3 Public
Forked from Programacion-en-c-moderno/Programacion-C-Clase3Material 3 Clase
C GNU General Public License v3.0 UpdatedMar 18, 2015 -
Programacion-C-Clase2 Public
Forked from Programacion-en-c-moderno/Programacion-C-Clase2Material 2 Clase
C GNU General Public License v3.0 UpdatedMar 10, 2015 -
Programacion-C-Clase1 Public
Forked from Programacion-en-c-moderno/Programacion-C-Clase1Curso de programación en C
Groff UpdatedMar 6, 2015 -
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MCMC-Cipher-Solver Public
Forked from jwcarr/MCMC-Cipher-SolverDecrypts ciphertext using a Markov Chain Monte Carlo method
Python UpdatedSep 13, 2014 -