hmacdope

zstd

Zstandard - Fast real-time compression algorithm

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

ormsgpack

Msgpack serialization/deserialization library for Python, written in Rust using PyO3 and rust-msgpack. Reboot of orjson. msgpack.org[Python]

FEgrow

An Open-Source Molecular Builder and Free Energy Preparation Workflow

binder

Binder, tool for automatic generation of Python bindings

h5cpp

C++17 templates between [stl::vector | armadillo | eigen3 | ublas | blitz++] and HDF5 datasets

homebrew-apple

SuperAGI

<⚡️> SuperAGI - A dev-first open source autonomous AI agent framework. Enabling developers to build, manage & run useful autonomous agents quickly and reliably.

opsdroid

🤖 An open source chat-ops bot framework

pdbinf

alchemiscale-pulumi

cloud provisioning, deployment, and management of alchemiscale using Pulumi

transport-analysis

A Python package to compute and analyze transport properties.

DiffDock

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

kartograf

This is an package contains tools for setting up hybrid-topology FE calculations

dask-cuda

Utilities for Dask and CUDA interactions

glosario

A multilingual glossary for computing and data science terms.

aizynthfinder

A tool for retrosynthetic planning

Reinvent

babyagi

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

alpaca.cpp

Locally run an Instruction-Tuned Chat-Style LLM

AutoGPT

AutoGPT is the vision of accessible AI for everyone, to use and to build on. Our mission is to provide the tools, so that you can focus on what matters.

openff-bespokefit

Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.

pooch

A friend to fetch your data files

wdpassport-utils

WD Passport Ultra Linux Utilities

whisper.cpp

Port of OpenAI's Whisper model in C/C++

llama.cpp

LLM inference in C/C++

ASAP_data

Repository for data generated by the ASAP Discovery Consortium

cookie

Scientific Python Library Development Guide and Cookiecutter

mtenn

Modular Training and Evaluation of Neural Networks