gozsari

developer-roadmap

Interactive roadmaps, guides and other educational content to help developers grow in their careers.

DeepSpeed

DeepSpeed is a deep learning optimization library that makes distributed training and inference easy, efficient, and effective.

ruff

An extremely fast Python linter and code formatter, written in Rust.

awesome-datascience

:memo: An awesome Data Science repository to learn and apply for real world problems.

awesome-python-applications

💿 Free software that works great, and also happens to be open-source Python.

plandex

AI driven development in your terminal. Designed for large, real-world tasks.

great_expectations

Always know what to expect from your data.

marimo

A reactive notebook for Python — run reproducible experiments, execute as a script, deploy as an app, and version with git.

deepchem

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

efficient-kan

An efficient pure-PyTorch implementation of Kolmogorov-Arnold Network (KAN).

llm-zoomcamp

LLM Zoomcamp - a free online course about building a Q&A system

nextflow

A DSL for data-driven computational pipelines

DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

pretrain-gnns

Strategies for Pre-training Graph Neural Networks

practical_cheminformatics_tutorials

Practical Cheminformatics Tutorials

dgl-lifesci

Python package for graph neural networks in chemistry and biology

Pymol-script-repo

Collected scripts for Pymol

gnn-benchmark

Framework for evaluating Graph Neural Network models on semi-supervised node classification task

linkml

Linked Open Data Modeling Language

GCC

GCC: Graph Contrastive Coding for Graph Neural Network Pre-Training @ KDD 2020

smiles-transformer

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

slingshot

Functions for identifying and characterizing continuous developmental trajectories in single-cell data.

IDGL

Code & data accompanying the NeurIPS 2020 paper "Iterative Deep Graph Learning for Graph Neural Networks: Better and Robust Node Embeddings".

mol_opt

moleculenet

Moleculenet.ai Datasets And Splits

BGRL_Pytorch

Pytorch implementation of "Large-Scale Representation Learning on Graphs via Bootstrapping"

benchmarking-gnns-pyg

GraphACL

GraphACL: Simple and Asymmetric Graph Contrastive Learning (NeurIPS 2023)

PIGNet2

omero-tabbles

OMERO.web script to create Annotations in OMERO based on Tags from Tabbles