☆13Jul 11, 2017Updated 8 years ago
Alternatives and similar repositories for camb
Users that are interested in camb are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Derivation of structural alerts from bioactivity data sets☆32Mar 6, 2016Updated 10 years ago
- A pragmatic interface to RDKit in R☆26Sep 14, 2019Updated 6 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 8 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Conformal prediction in R☆32Aug 1, 2019Updated 6 years ago
- ☆17Mar 11, 2023Updated 3 years ago
- ChEMBL Similarity Search☆18Nov 28, 2020Updated 5 years ago
- OpenBabel wrapper package for R☆10Mar 12, 2026Updated 3 weeks ago
- 2D/3D generation for small compounds☆33Feb 2, 2020Updated 6 years ago
- 3D diverse conformers generation using rdkit☆23Mar 10, 2022Updated 4 years ago
- Searching the best regression model using R (correlation filter, data scaling, best regression model, etc.)☆21Apr 23, 2018Updated 7 years ago
- Resources used to create the myChEMBL virtual machine☆57Mar 20, 2017Updated 9 years ago
- Code for KekuleScope☆11Nov 22, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Tool for mining structure-property relationships from chemical datasets☆16Jan 17, 2026Updated 2 months ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Nov 20, 2025Updated 4 months ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 6 months ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 8 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- ☆16May 11, 2016Updated 9 years ago
- Target prediction☆14May 8, 2020Updated 5 years ago
- ☆11Apr 22, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Integrating R and the CDK☆44Nov 30, 2025Updated 4 months ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Feb 23, 2022Updated 4 years ago
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Jan 10, 2018Updated 8 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Apr 4, 2026Updated last week
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆23Feb 1, 2022Updated 4 years ago
- ☆65Oct 24, 2018Updated 7 years ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- ☆20Jul 11, 2017Updated 8 years ago
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Supervised Distance Metric Learning with R☆20Mar 19, 2019Updated 7 years ago
- FTDMP is a software system for running docking experiments and scoring/ranking multimeric models.☆13Oct 20, 2025Updated 5 months ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- Non Metric Space ( Approximate ) Library in R☆12Feb 2, 2023Updated 3 years ago
- Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal…☆13Feb 11, 2023Updated 3 years ago
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆31Jan 5, 2023Updated 3 years ago
- ☆10Apr 22, 2019Updated 6 years ago