☆27Jul 1, 2026Updated this week
Alternatives and similar repositories for Papyrus-scripts
Users that are interested in Papyrus-scripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆22Apr 7, 2023Updated 3 years ago
- ☆18Jan 11, 2024Updated 2 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆48Jan 17, 2024Updated 2 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 2 months 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.
- ☆46Dec 30, 2025Updated 6 months ago
- Code to accompany my blog post "Dissecting the Hype With Cheminformatics"☆12Sep 22, 2019Updated 6 years ago
- Program to find drug-like RNA-ligand binding pockets.☆25May 26, 2026Updated last month
- A python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 3 years ago
- ☆62Apr 7, 2024Updated 2 years ago
- ChEMBL database structure pipelines☆244Nov 24, 2025Updated 7 months ago
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- FUNctional toolKIt platform for multi-omic functional analysis. An standardised pipeline to analysis transcriptomic, proteomic, phospho…☆14Jan 20, 2022Updated 4 years ago
- ☆18Jun 14, 2023Updated 3 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.
- Experiments for the method comparison paper.☆40Oct 3, 2025Updated 9 months ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Machine learning experiments for CheckMyBlob☆14Jun 14, 2018Updated 8 years ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆90Jun 18, 2026Updated 2 weeks ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- ☆22Jan 25, 2023Updated 3 years ago
- Benchmarking deep learning models generating molecules in 3D☆18Apr 12, 2025Updated last year
- ☆32May 25, 2026Updated last month
- 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.
- ☆34Feb 5, 2024Updated 2 years ago
- ☆12Jul 3, 2021Updated 5 years ago
- htmlwidgets for chemdoodle web components☆18Apr 11, 2021Updated 5 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆19Dec 8, 2020Updated 5 years ago
- ErtlFunctionalGroupsFinder for CDK☆19Dec 18, 2023Updated 2 years ago
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆15Jun 4, 2025Updated last year
- Sparse Neural Network Tools☆12Jul 15, 2024Updated last year
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 3 years ago
- The Antibiotic Resistance Ontology (ARO) organizes the information describing the ability of a microorganism to withstand the effects of …☆22Oct 2, 2025Updated 9 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 8 months ago
- A python package for chemical space visualization.☆153Jun 1, 2026Updated last month
- ☆54Sep 19, 2025Updated 9 months ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 3 years ago
- few-shot compound activity regression☆12Aug 19, 2024Updated last year
- Make a bunch of molecules☆98Nov 22, 2024Updated last year
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆61Mar 16, 2023Updated 3 years ago