☆50Aug 1, 2022Updated 3 years ago
Alternatives and similar repositories for GHOST
Users that are interested in GHOST are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆24Jun 23, 2021Updated 4 years ago
- ☆38Mar 8, 2024Updated 2 years ago
- Identifying silly molecules☆17May 12, 2022Updated 4 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- 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.
- Materials from the 2022 UGM☆46Oct 31, 2022Updated 3 years ago
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 7 months ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- RDKit related blog posts, notebooks, and data.☆154Jan 24, 2026Updated 4 months ago
- ☆11Apr 22, 2024Updated 2 years ago
- Some useful RDKit functions☆228Apr 30, 2026Updated 3 weeks ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆88Feb 9, 2026Updated 3 months ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆235Apr 21, 2026Updated last month
- 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.
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- ☆27Sep 1, 2021Updated 4 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 3 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆285Jan 25, 2026Updated 4 months ago
- LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Na…☆15Aug 28, 2025Updated 8 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆71Nov 6, 2025Updated 6 months ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆210Feb 15, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆373May 24, 2025Updated last year
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 9 years ago
- Write reproducible code for getting and processing ChEMBL☆91Sep 14, 2025Updated 8 months ago
- A Highly Opinionated List of Open Source Cheminformatics Resources☆198Nov 19, 2020Updated 5 years ago
- BayeshERG Official Repository☆16May 30, 2025Updated 11 months ago
- ☆22Jan 5, 2025Updated last year
- ☆49Oct 8, 2020Updated 5 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- Explainer for black box models that predict molecule properties☆351Apr 1, 2026Updated last month
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 9 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆74Apr 21, 2026Updated last month
- add-on to plotly which show molecule images on mouseover!☆263Mar 17, 2026Updated 2 months ago
- ☆54Jan 17, 2026Updated 4 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Code Space of SynLlama☆49Apr 11, 2026Updated last month
- Machine learning model for predicting Human Oral Bioavailability☆13Dec 16, 2021Updated 4 years ago