Make a bunch of molecules
☆98Nov 22, 2024Updated last year
Alternatives and similar repositories for molcloud
Users that are interested in molcloud are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Explainer for black box models that predict molecule properties☆355Apr 1, 2026Updated 5 months ago
- Interactive molecule viewer for 2D structures☆257Dec 27, 2025Updated 8 months ago
- Webpage for the ChemRxiv dashboard☆12Mar 10, 2025Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Deep learning for compound price prediction☆19Aug 22, 2024Updated 2 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- A Python package for calculating molecular features☆236Sep 2, 2026Updated 2 weeks ago
- Molecular bloom filter tool☆132Mar 23, 2026Updated 5 months ago
- add-on to plotly which show molecule images on mouseover!☆263Updated this week
- Some useful RDKit functions☆239Aug 27, 2026Updated 3 weeks ago
- A Fast Chemical Graph Generator☆101Mar 5, 2026Updated 6 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆83Jun 1, 2025Updated last year
- Computational Chemistry Data Management Library for Machine Learning Force Field Development☆21Sep 7, 2026Updated last week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 4 years ago
- Python script to lookup pKa values☆26Aug 6, 2026Updated last month
- ☆23Jan 25, 2023Updated 3 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- molecular mechanics optimisation☆18Aug 28, 2023Updated 3 years ago
- The Chemical Data Processing Toolkit☆126Sep 11, 2026Updated last week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- Open-source tool for synthons-based library design.☆91Jan 8, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A molecular identifier and descriptor for all domains of chemistry.☆26Aug 24, 2026Updated 3 weeks ago
- Molecular Processing Made Easy.☆550Sep 9, 2026Updated last week
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- BARTSmiles, generative masked language model for molecular representations☆35Jan 9, 2024Updated 2 years ago
- A universal file format for gas adsorption experiments☆22Aug 24, 2026Updated 3 weeks ago
- Enable cheminformatics and quantum chemistry☆81Updated this week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆62Mar 16, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A platform to do RNA science☆28Mar 7, 2021Updated 5 years ago
- ☆99Dec 19, 2022Updated 3 years ago
- Deep learning for molecules and materials book☆751Feb 21, 2026Updated 6 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆117Dec 5, 2025Updated 9 months ago
- Real time monitoring and visualization of Amber MD simulations☆16Feb 6, 2020Updated 6 years ago
- ☆13Oct 10, 2024Updated last year
- A python package for chemical space visualization.☆155Aug 20, 2026Updated last month