ANNalog package
☆20Jul 12, 2026Updated this week
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:
- ☆40Feb 20, 2026Updated 4 months ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆91Apr 7, 2026Updated 3 months ago
- Experiments for the method comparison paper.☆40Oct 3, 2025Updated 9 months ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- ☆14Mar 31, 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.
- 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
- Toolkit for large scale ADMET modelling☆29Updated this week
- ML-based ligand generator☆23May 8, 2026Updated 2 months ago
- ☆18May 1, 2026Updated 2 months ago
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆19Apr 15, 2026Updated 3 months ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆58Jul 5, 2026Updated last week
- ☆24Aug 18, 2025Updated 10 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆29Jun 30, 2025Updated last year
- A molecular machine learning MCP server that enables LLMs to handle molecular data☆28Jun 29, 2026Updated 2 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆24Jun 30, 2026Updated 2 weeks ago
- Chemical Space Visualization☆21Mar 18, 2026Updated 3 months ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆25Apr 3, 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
- Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dat…☆34Jul 9, 2026Updated last week
- Virtual Medicinal Chemist, SAR reasoning☆35Jun 9, 2026Updated last month
- NMT based SMILES to IUPAC Translator☆19Jul 16, 2025Updated last year
- Selection language for RDKit☆17Mar 20, 2026Updated 3 months ago
- ☆89Jan 11, 2025Updated last year
- 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.
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 3 years ago
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- ☆33Mar 11, 2023Updated 3 years ago
- Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs☆36Feb 9, 2026Updated 5 months ago
- A validating SMILES parser, with support for incomplete SMILES☆31Jan 14, 2025Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆113Oct 31, 2024Updated last year
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated last week
- User Guide for MDAnalysis☆30Updated this week
- command line viewer for molecular dynamics simulations☆31Jul 8, 2026Updated last week
- 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.
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆73Jul 1, 2026Updated 2 weeks ago
- pepADMET: a novel computational platform for systematic ADMET evaluation of peptides☆25Oct 21, 2025Updated 8 months ago
- This repo contains the results data for Round 1 of Adaptyv Bio’s EGFR Protein Design Competition.☆37Dec 12, 2024Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- A foundational package for molecular predictive modelling☆97Oct 16, 2024Updated last year
- Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...☆39May 19, 2026Updated last month
- A Python framework for structural bioinformatics.☆14Jan 20, 2024Updated 2 years ago