Josep Arús-Pous's repositories
reinvent-randomized
Recurrent Neural Network using randomized SMILES strings to generate molecules
reinvent-scaffold-decorator
A SMILES-based encoder-decoder architecture for molecular scaffold decoration
reinvent-gdb13
A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
docker-chempack
A Docker image with Java, Python, R and RDKIT
docker-rdkit
Docker images for RDKit
scaffold-decorator-tmap-scripts
Scripts used to create the TMAPs in the "SMILES-based deep generative scaffold decorator for de-novo drug design" manuscript
overlapy_web
Overlapy's simple web service
spark-slurm
Some scripts to use Spark with Slurm
csv_reader
A CSV reader made with Ragel
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joseparus.com
Source code for my website
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nextflow
A DSL for data-driven computational pipelines
Apache-2.0000
vimrc
My .vim folder and .vimrc files
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