Repositories list

• molecule-representation

  Public
  Interactif molecule representations / drawing as react components

  reacttypescriptchemistry+ 3cheminformaticsrdkitmolecule-viewer

  TypeScript

  •

  MIT License

  •1•8•2•0•Updated Dec 23, 2024Dec 23, 2024

• ketcher

  Public
  Web-based molecule sketcher

  TypeScript

  •

  Apache License 2.0

  •184•0•0•0•Updated Dec 23, 2024Dec 23, 2024

• structure-interactions

  Public
  Python

  •

  GNU General Public License v2.0

  •0•2•0•0•Updated Dec 10, 2024Dec 10, 2024

• generation-under-synthetic-constraint

  Public
  Jupyter Notebook

  •

  MIT License

  •5•18•1•0•Updated Nov 12, 2024Nov 12, 2024

• pyspaya

  Public
  Python client for Spaya

  Python

  •

  MIT License

  •1•3•0•0•Updated Nov 8, 2024Nov 8, 2024

• rdkit-provider

  Public
  instantiate an RDKit web worker in a React context

  reacttypescriptcheminformatics+ 4rdkitwebworkerwebworkersrdkit-chem

  TypeScript

  •

  MIT License

  •0•6•4•0•Updated Oct 3, 2024Oct 3, 2024

• makya-api-gateway

  Public
  Sample deployment of the API gateway on client infrastructure

  0•0•0•0•Updated Apr 20, 2024Apr 20, 2024

• makya-api-sa-score

  Public
  Sample API for Makya to compute the SA Score

  Python

  •0•0•0•0•Updated Apr 19, 2024Apr 19, 2024

• scaffold-hopping

  Public
  Large-step Scaffold Hopping Benchmark

  0•4•0•0•Updated Mar 5, 2024Mar 5, 2024

• hiplot

  Public archive
  HiPlot makes understanding high dimensional data easy

  TypeScript

  •

  MIT License

  •146•1•0•0•Updated Feb 9, 2024Feb 9, 2024

• pymakya-doc

  Public
  HTML

  •

  MIT License

  •0•0•0•0•Updated Oct 3, 2023Oct 3, 2023

• simulator-predictor-hacking

  Public
  Jupyter Notebook

  •

  MIT License

  •0•7•0•0•Updated Sep 23, 2022Sep 23, 2022

• k8s-gpu-sharing-plugin

  Public
  Forked from https://gitlab.com/nvidia/kubernetes/device-plugin

  Go

  •

  Apache License 2.0

  •0•1•0•0•Updated Apr 26, 2022Apr 26, 2022

• k8s-gpu-share-plugin

  Public
  GPU Sharing plugin based on NVIDIA device plugin for Kubernetes

  Go

  •

  Apache License 2.0

  •652•0•0•0•Updated Apr 22, 2022Apr 22, 2022

• simple-scorer

  Public
  Simple external scorer using RDKit for Makya

  JavaScript

  •

  MIT License

  •0•0•0•0•Updated Nov 18, 2021Nov 18, 2021