A lightweight generic cheminformatics toolkit
☆21Apr 14, 2016Updated 10 years ago
Alternatives and similar repositories for Helium
Users that are interested in Helium are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Perception and labelling of stereogenic centres in chemical structures☆23Oct 13, 2026Updated 2 weeks ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- A purely functional cheminformatics toolkit written in Scala☆16Jun 7, 2013Updated 13 years ago
- interactive SDF Viewer presented originally at the RDKit UGM 2014☆21Jun 23, 2017Updated 9 years ago
- 3D diverse conformers generation using rdkit☆23Mar 10, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Javascript Reaction Editor and Cheminformatics Library☆14Jun 13, 2011Updated 15 years ago
- Chemoinformatics tool for ligand-based virtual screening☆19Jan 11, 2023Updated 3 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 7 years ago
- The OpenSMILES specification☆14May 13, 2020Updated 6 years ago
- RDKit wrapper☆50Apr 9, 2024Updated 2 years ago
- ChemSpotlight is a Spotlight metadata importer plugin for Mac OS X which reads common chemical file formats☆15May 19, 2011Updated 15 years ago
- Layered Chemical Identifier☆14Jun 12, 2026Updated 4 months ago
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 6 years ago
- Deprecated, visit chembience/core for further develompment. (A Docker-based, cloudable platform for the development of chemoinformatics-c…☆47May 27, 2026Updated 5 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- SMILES Toolkit☆27Sep 2, 2026Updated last month
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago
- ☆13Jul 13, 2019Updated 7 years ago
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- Fast SSE2/SSE3-based code for structural RMSD computation☆13Nov 19, 2012Updated 13 years ago
- Qt MongoDB desktop cheminformatics application - this project is no longer active☆17Jul 2, 2015Updated 11 years ago
- Molecular standardisation tool☆78Aug 23, 2020Updated 6 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- GridVar is a jQuery plugin that visualizes multi-dimensional datasets as layers organized in a row-column format.☆14Feb 21, 2014Updated 12 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A validating SMILES parser, with support for incomplete SMILES☆31Jan 14, 2025Updated last year
- SMILES reading benchmark☆16Aug 17, 2018Updated 8 years ago
- ☆16Oct 28, 2019Updated 7 years ago
- Molecular Dynamics in the Open☆93Aug 19, 2026Updated 2 months ago
- Molecular fragments and inorganic ligands for rapidly building structures☆11Oct 24, 2026Updated last week
- Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors☆15Apr 13, 2023Updated 3 years ago
- Desktop integration of high performance computing resources☆33May 8, 2026Updated 5 months ago
- python code for the JUAMI potentiostat☆12Jun 21, 2026Updated 4 months ago
- Simplified and standard interface to a number of cheminformatics toolkits☆89Nov 4, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Molecular MHFP fingerprints for cheminformatics applications☆99Feb 16, 2023Updated 3 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆12Apr 11, 2021Updated 5 years ago
- Molecule Validation and Standardization☆189Apr 16, 2020Updated 6 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆41Sep 11, 2025Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago