Generates and scores synthetically tractable elaborations from fragment screens
☆45Oct 14, 2026Updated 2 weeks ago
Alternatives and similar repositories for syndirella
Users that are interested in syndirella are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fast, memory-efficient Butina clustering and dataset splitting for chemical fingerprints☆12Jun 4, 2026Updated 4 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- A package to prepare SMILES databases (Protonation, neutralization, tautomers,..)☆50Updated this week
- The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"☆13Mar 26, 2025Updated last year
- macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids.☆70Updated this 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.
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆28Sep 25, 2026Updated last month
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆27Sep 28, 2026Updated last month
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆31Oct 18, 2024Updated 2 years ago
- A lightweight, fast pocket finder in Python.☆94Jul 22, 2026Updated 3 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Open-source SBDD toolkit for standardized import of binding poses, restrained OpenMM minimization, pose QC, protein-ligand interaction an…☆23Sep 11, 2026Updated last month
- A python package to calculate Myerson values from game theory and use them as explanations for graph neural networks.☆15Sep 19, 2026Updated last month
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆64Oct 23, 2026Updated last week
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆67Updated this week
- 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.
- LillyMol Public Code☆18Updated this week
- ☆69Jun 27, 2025Updated last year
- A script to run structural alerts using the RDKit and ChEMBL☆173Feb 17, 2026Updated 8 months ago
- Auditable generation and multi-objective triage of structurally diverse, drug-like molecules with RDKit.☆11Aug 26, 2026Updated 2 months ago
- A Python package for the calculation of features and descriptors for atoms and bonds in molecules.☆59Jun 29, 2026Updated 4 months ago
- Code Space of SynLlama☆50Apr 11, 2026Updated 6 months ago
- ANNalog package☆28Aug 27, 2026Updated 2 months ago
- ☆14Sep 11, 2025Updated last year
- gpu implementation mopac☆16Updated this week
- 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.
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- A Python tool for creating and downsampling chemical pointclouds.☆14Sep 10, 2026Updated last month
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆25Sep 21, 2024Updated 2 years ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆245Apr 21, 2026Updated 6 months ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- Preprocessing file generator (v1) and hosted Boltz-2 API builder/submitter (v2.0): binary, ternary, or N-body protein-ligand-DNA-RNA bind…☆12Oct 22, 2026Updated last week
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated 2 years ago
- RetroChimera: a frontier retrosynthesis model built on ensembling☆89Updated this week
- ☆11Jul 2, 2021Updated 5 years 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.
- ☆32Oct 20, 2026Updated last week
- Fast Molecular Property Prediction with mordredcommunity☆62Dec 12, 2025Updated 10 months ago
- SBDD Benchmarking☆14Feb 18, 2025Updated last year
- equivariant NMR prediction☆20Sep 16, 2026Updated last month
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 8 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆303Jun 3, 2026Updated 4 months ago
- ☆61May 9, 2025Updated last year