schlawiener05's Stars
jesseduffield/lazydocker
The lazier way to manage everything docker
jagenjo/litegraph.js
A graph node engine and editor written in Javascript similar to PD or UDK Blueprints, comes with its own editor in HTML5 Canvas2D. The engine can run client side or server side using Node. It allows to export graphs as JSONs to be included in applications independently.
tembo-io/pgmq
A lightweight message queue. Like AWS SQS and RSMQ but on Postgres.
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
webfansplz/vite-plugin-vue-devtools
Vite + Vue DevTools = DX 🔥
MauriceConrad/iCloud-API
Node API for Apple's iCloud services
cosmograph-org/cosmos
GPU-accelerated force graph layout and rendering
baker-laboratory/rf_diffusion_all_atom
Public RFDiffusionAA repo
zjunlp/Mol-Instructions
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
manzt/quak
a scalable data profiler
datamol-io/graphium
Graphium: Scaling molecular GNNs to infinity.
patrickbryant1/Umol
Protein-ligand structure prediction
dptech-corp/Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
epicweb-dev/config
Reasonable ESLint, Prettier, and TypeScript configs for epic web devs
kitbagjs/router
A type safe router for vuejs
MorganCThomas/MolScore
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
QizhiPei/FABind
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
TutteInstitute/evoc
Embedding Vector Oriented Clustering
QizhiPei/BioT5
BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)
swansonk14/admet_ai
Training and prediction scripts for Chemprop models trained on ADMET datasets
foxt/icloud.js
Library for accessing iCloud in Node.js
healx/lig3dlens
AustinT/mol_ga
Simple, lightweight package for genetic algorithms on molecules
molecularmodelinglab/plantain
Fast and accurate molecular docking with an AI pose scoring function
mqcomplab/bitbirch
BitBIRCH clustering algorithm
Steinbeck-Lab/cheminformatics-microservice
This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
rick12000/confopt
A Library for Conformal Hyperparameter Tuning
DS4SD/PatCID
Sanofi-Public/Alien
lanl/minervachem
a python library for cheminformatics and machine learning