Joren Retel's repositories
caduceus
Bi-Directional Equivariant Long-Range DNA Sequence Modeling
ccpnmr-cc-patterns
Visualize cross-peak patterns in 2D 13C-13C correlation spectra based on labeling schemes and present assignments
ccpnmr-residueTypeProbs-editor
Set the residueTypeProb field in the CCPNMR data model
CVDD-PyTorch
A PyTorch implementation of Context Vector Data Description (CVDD), a method for Anomaly Detection on text.
dynaconf
Configuration Management for Python âš™
Malandro
Sequential Assignment Plug-in for the CCPNMR Analysis Software
rdkit_hackathon_2022
RDKit Hackathon 2022
evo
DNA foundation modeling from molecular to genome scale
FID-Net
Deep Neural Networks for Analysing NMR time domain data
genomelake
Simple and efficient access to genomic data for deep learning models.
gnina
A deep learning framework for molecular docking
kglib
Grakn R&D work
libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
metrics
Machine learning metrics for distributed, scalable PyTorch applications.
ncls
The Nested Containment List for Python. Basically a static interval-tree that is silly fast for both construction and lookups.
ompg_restraint_generation
CCPNMR Analysis macro code to generate distance restraints for OmpG structure calculation
phd_thesis
my Ph.D. thesis
pyfabia
Fabia Biclustering Algorithm in Cython
pytorch_geometric
Geometric Deep Learning Extension Library for PyTorch
ray
A fast and simple framework for building and running distributed applications. Ray is packaged with RLlib, a scalable reinforcement learning library, and Tune, a scalable hyperparameter tuning library.
rdkit
The official sources for the RDKit library
smelte-template
Smelte template for Svelte
universal_pathlib
pathlib api extended to use fsspec backends