daenuprobst

Postdoctoral researcher at EPFL in the @epfl-lts2 group. Former researchs taff member at IBM and PhD student in @reymond-group.

Switzerland

Pinned Repositories

covid19-cases-switzerland
Data from BAG Tweets made useful.
Language:Python286 29 8474
dashcoch
Interactive Web Visualizations of COVID19 Cases in Switzerland
Language:Python20 3 1220
dashcoch-v2
Language:JavaScript28 3 1512
molsetrep
Molecular Set Representation Learning
Language:Python44 3 24
molzip
The gzip classification method implemented for molecule classification.
Language:Python54 3 1310
drfp
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
Language:Jupyter Notebook61 6 417
faerun-python
A python module for generating interactive views of chemical spaces.
Language:HTML75 11 817
mhfp
Molecular MHFP fingerprints for cheminformatics applications
Language:Python85 9 618
smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
Language:JavaScript445 12 14471
tmap
A very fast visualization library for large, high-dimensional data sets.
Language:C++212 13 4229

daenuprobst's Repositories

daenuprobst/covid19-cases-switzerland
Data from BAG Tweets made useful.
Language:Python286 29 8474
daenuprobst/molzip
The gzip classification method implemented for molecule classification.
Language:Python54 3 1310
daenuprobst/molsetrep
Molecular Set Representation Learning
Language:Python44 3 24
daenuprobst/dashcoch
Interactive Web Visualizations of COVID19 Cases in Switzerland
Language:Python20 3 1220
daenuprobst/theia
Language:Python18 4 43
daenuprobst/covid-data-analysis
Analyzing the COVID-19 data provided by BAG.
Language:Jupyter Notebook6 3 00
daenuprobst/Mastodon-Cheminformaticians
Most simple DIY webapp to bulk follow cheminformatics accounts on Mastodon. By Daniel Probst forked from David Adler, Thomas Haase & Hendrik Erz.
Language:HTML64
daenuprobst/lcarsoft
A Star Trek inspired neovim theme.
Language:Lua5
daenuprobst/daenuprobst
1 3 0
daenuprobst/tmap.js
A javascript API to easily display TMAPs
Language:JavaScript1
daenuprobst/academic-site
My personal academic website.
Language:HTML
daenuprobst/academics-on-mastodon
A list of various lists consisting of academics on Mastodon
daenuprobst/anon_aichem
Language:Jupyter Notebook3 0
daenuprobst/bcm-retrain
Retraining of the biocatalysis model
Language:Jupyter Notebook3 0
daenuprobst/CP_2023_tmap
Language:Jupyter Notebook
daenuprobst/daenuprobst.github.io
My personal website
Language:JavaScript
daenuprobst/data-sets
Some data sets I often use.
1
daenuprobst/faerun-notebook
Language:JavaScript
daenuprobst/ghost-firstgenacademics
Language:CSS
daenuprobst/hands-benchmark
daenuprobst/kickstart.nvim
A launch point for your personal nvim configuration
daenuprobst/linux
My linux configs.
Language:Python1 0
daenuprobst/materials-perceiver
A multimodal perceiver architecture for materials discovery.
Language:Python
daenuprobst/perbinder
daenuprobst/rxn4chemistry
Python wrapper for the IBM RXN for Chemistry API
Language:Python2 0
daenuprobst/smilesdrawer-website
The SmilesDrawer static website.
Language:JavaScript3 0
daenuprobst/smilez
Smilez is a simple compression library for SMILES strings.
Language:C0 0
daenuprobst/tmap-website
The website for the TMAP package.
Language:JavaScript
daenuprobst/UGM_2021
Materials from the (virtual) 2021 RDKit UGM
Language:Jupyter Notebook
daenuprobst/voyage-project
Project management repository.