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☆354Apr 1, 2026Updated 2 months ago
- Interactive molecule viewer for 2D structures☆256Dec 27, 2025Updated 6 months ago
- 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
- 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
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Deep learning for compound price prediction☆19Aug 22, 2024Updated last year
- A Python package for calculating molecular features☆231May 18, 2026Updated last month
- Molecular bloom filter tool☆129Mar 23, 2026Updated 3 months ago
- Webpage for the ChemRxiv dashboard☆12Mar 10, 2025Updated last year
- add-on to plotly which show molecule images on mouseover!☆263Mar 17, 2026Updated 3 months ago
- Some useful RDKit functions☆234Jun 1, 2026Updated 3 weeks ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆82Jun 1, 2025Updated last year
- A Fast Chemical Graph Generator☆96Mar 5, 2026Updated 3 months ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Computational Chemistry Data Management Library for Machine Learning Force Field Development☆21Jun 24, 2026Updated last week
- Python script to lookup pKa values☆26May 15, 2026Updated last month
- ☆22Jan 25, 2023Updated 3 years ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- The Chemical Data Processing Toolkit☆123Updated this week
- A molecular identifier and descriptor for all domains of chemistry.☆26Dec 23, 2025Updated 6 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Molecular Processing Made Easy.☆539May 20, 2026Updated last month
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 10 months ago
- BARTSmiles, generative masked language model for molecular representations☆35Jan 9, 2024Updated 2 years ago
- A universal file format for gas adsorption experiments☆22Updated 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
- Enable cheminformatics and quantum chemistry☆78Jun 17, 2026Updated last week
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Deep learning for molecules and materials book☆745Feb 21, 2026Updated 4 months ago
- ☆13Oct 10, 2024Updated last year
- ☆99Dec 19, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆61Mar 16, 2023Updated 3 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- molfeat - the hub for all your molecular featurizers☆231May 27, 2025Updated last year
- A platform to do RNA science☆28Mar 7, 2021Updated 5 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- A python package for chemical space visualization.☆153Jun 1, 2026Updated 3 weeks ago
- Converts an xyz file to an RDKit mol object☆300Jan 22, 2025Updated last year