undeadpixel
I'm a computer scientist and a doctor in deep learning applied to drug discovery that loves science, music & nerdiness in general!
@RocheBasel
Pinned Repositories
arr
The swashbuckler's way to work with R
csv_reader
A CSV reader made with Ragel
docker-chempack
A Docker image with Java, Python, R and RDKIT
docker-rdkit
Docker images for RDKit
mallet
Simple HMM viterbi algorithm
overlapy_web
Overlapy's simple web service
reinvent-gdb13
A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
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
scaffold-decorator-tmap-scripts
Scripts used to create the TMAPs in the "SMILES-based deep generative scaffold decorator for de-novo drug design" manuscript
undeadpixel's Repositories
undeadpixel/reinvent-randomized
Recurrent Neural Network using randomized SMILES strings to generate molecules
undeadpixel/reinvent-scaffold-decorator
A SMILES-based encoder-decoder architecture for molecular scaffold decoration
undeadpixel/reinvent-gdb13
A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
undeadpixel/docker-chempack
A Docker image with Java, Python, R and RDKIT
undeadpixel/docker-rdkit
Docker images for RDKit
undeadpixel/scaffold-decorator-tmap-scripts
Scripts used to create the TMAPs in the "SMILES-based deep generative scaffold decorator for de-novo drug design" manuscript
undeadpixel/arr
The swashbuckler's way to work with R
undeadpixel/mallet
Simple HMM viterbi algorithm
undeadpixel/overlapy_web
Overlapy's simple web service
undeadpixel/spark-slurm
Some scripts to use Spark with Slurm
undeadpixel/csv_reader
A CSV reader made with Ragel
undeadpixel/joseparus.com
Source code for my website
undeadpixel/nextflow
A DSL for data-driven computational pipelines
undeadpixel/UpSetPlot
Draw UpSet plots with Matplotlib
undeadpixel/vimrc
My .vim folder and .vimrc files