undeadpixel

Josep Arús-Pous's repositories

Recurrent Neural Network using randomized SMILES strings to generate molecules

Language:PythonMIT87 2 3

A SMILES-based encoder-decoder architecture for molecular scaffold decoration

Language:PythonMIT78 6 15

A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13

Language:PythonMIT28 30

A Docker image with Java, Python, R and RDKIT

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Docker images for RDKit

MIT2 20

Scripts used to create the TMAPs in the "SMILES-based deep generative scaffold decorator for de-novo drug design" manuscript

MIT200

The swashbuckler's way to work with R

Language:RubyMIT100

Simple HMM viterbi algorithm

Language:PythonMIT100

Overlapy's simple web service

Language:PythonMIT100

Some scripts to use Spark with Slurm

Language:Shell100

A CSV reader made with Ragel

Language:C++MIT000

Source code for my website

Language:HTMLMIT000

A DSL for data-driven computational pipelines

Apache-2.0000

Draw UpSet plots with Matplotlib

Language:PythonNOASSERTION010

My .vim folder and .vimrc files

Language:VimL000