ANNalog package
☆23Jul 12, 2026Updated 3 weeks ago
Alternatives and similar repositories for ANNalog
Users that are interested in ANNalog are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Dec 25, 2025Updated 7 months ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆20Jan 11, 2026Updated 6 months ago
- ☆40Feb 20, 2026Updated 5 months ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆94Apr 7, 2026Updated 3 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 5 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- ☆14Mar 31, 2026Updated 4 months ago
- ML-based ligand generator☆23May 8, 2026Updated 2 months ago
- Toolkit for large scale ADMET modelling☆29Jul 23, 2026Updated 2 weeks ago
- Code for GP-MoLFormer + pair-tuning☆18Sep 18, 2025Updated 10 months ago
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆20Apr 15, 2026Updated 3 months ago
- NMT based SMILES to IUPAC Translator☆19Jul 16, 2025Updated last year
- ☆18May 1, 2026Updated 3 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆58Jul 5, 2026Updated last month
- ☆24Aug 18, 2025Updated 11 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated last year
- ☆88Jan 11, 2025Updated last year
- Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dat…☆35Jul 9, 2026Updated 3 weeks ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- Experiments for the method comparison paper.☆40Oct 3, 2025Updated 10 months ago
- Chemical Space Visualization☆21Mar 18, 2026Updated 4 months ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆25Apr 3, 2024Updated 2 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.
- ☆57Jan 15, 2026Updated 6 months ago
- ☆26Jun 30, 2026Updated last month
- A molecular machine learning MCP server that enables LLMs to handle molecular data☆28Jun 29, 2026Updated last month
- Selection language for RDKit☆17Mar 20, 2026Updated 4 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆90Jun 17, 2026Updated last month
- Virtual Medicinal Chemist, SAR reasoning☆37Jun 9, 2026Updated last month
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 3 years ago
- ☆54Apr 17, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- The official repository of Uni-pKa☆112Apr 1, 2025Updated last year
- PKSmart: Predicting PK properties using Chemical Structures☆22Sep 26, 2025Updated 10 months ago
- A validating SMILES parser, with support for incomplete SMILES☆31Jan 14, 2025Updated last year
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆16Mar 22, 2026Updated 4 months ago
- CheMeleon Descriptor-based Foundation Model☆143Jul 23, 2026Updated last week
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated last month
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆15Jan 21, 2026Updated 6 months ago