jorenretel Goto Github PK

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

compare_spinsystems

ccpnmr analysis plug-in that helps comparing spin systems to one another

cvdd-pytorch

A PyTorch implementation of Context Vector Data Description (CVDD), a method for Anomaly Detection on text.

data_challenge

dynaconf

Configuration Management for Python ⚙

evo

DNA foundation modeling from molecular to genome scale

expecto

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

malandro

Sequential Assignment Plug-in for the CCPNMR Analysis Software

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

metrics

Machine learning metrics for distributed, scalable PyTorch applications.

models

Model zoo for genomics

ncls

The Nested Containment List for Python. Basically a static interval-tree that is silly fast for both construction and lookups.

nmrblocks

Scripts making adding blocks of nuclear magnetic resonance data more streamlined.

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

rdkit_hackathon_2022

RDKit Hackathon 2022

scripts

selene

a framework for training sequence-level deep learning networks

smelte-template

Smelte template for Svelte