LarsAC

cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

charts

⚠️ Deprecated : Helm charts for applications you run at home

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

dicomtags_docker

dreamcatcher

Get sleep data from the Oura cloud API using Python

FS-Mol

FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of protein targets. The dataset is presented with a model evaluation benchmark which aims to drive few-shot learning research in the domain of molecules and graph-structured data.

GA

Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space

guacamol

Benchmarks for generative chemistry

haystack

:mag: End-to-end Python framework for building natural language search interfaces to data. Leverages Transformers and the State-of-the-Art of NLP. Supports DPR, Elasticsearch, Hugging Face’s Hub, and much more!

Img2Mol

img2pdf_docker

jhub_images

langchain

⚡ Building applications with LLMs through composability ⚡

LarsAC

Config files for my GitHub profile.

med2image_docker

medline

Computing term cooccurrence in MEDLINE

mso

Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert

NeoDTI

NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions

OAI-KL-Grade-Classification

code for paper Attention-based CNN for KL Grade Classification: Data from the Osteoarthritis Initiative

orthanc-s3-storage

S3 Storage Plugin - A plugin for Orthanc DICOM Server for storing DICOM data in Amazon Simple Storage Service (AWS S3).

pachyderm

Reproducible Data Science at Scale!

pymed

PyMed is a Python library that provides access to PubMed.

pyRDF2Vec

🐍 Python Implementation and Extension of RDF2Vec

resources

A Highly Opinionated List of Open Source Cheminformatics Resources

scrnaseq-testdata

selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

stardog_docker

windows-development-environment

:telescope: Turning Windows into an environment ready for modern development

zenbot

Zenbot is a command-line cryptocurrency trading bot using Node.js and MongoDB.

zenbot-helm