An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
☆48Jan 17, 2024Updated 2 years ago
Alternatives and similar repositories for Python_SmallWorld_API
Users that are interested in Python_SmallWorld_API are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆27Jul 22, 2026Updated 2 weeks ago
- Molecular bloom filter tool☆131Mar 23, 2026Updated 4 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆136Mar 16, 2023Updated 3 years ago
- Synthesis generative model☆48Apr 24, 2025Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆207Jun 28, 2026Updated last month
- 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.
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 5 months ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆30Jan 15, 2026Updated 6 months ago
- CReM: chemically reasonable mutations framework☆280Jul 9, 2026Updated last month
- A repo for analysis of ensembles of protein-ligand complexes☆30Jun 15, 2026Updated last month
- ☆19Dec 2, 2025Updated 8 months ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 3 months ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆62Mar 16, 2023Updated 3 years ago
- ☆29Mar 16, 2023Updated 3 years ago
- A script to run structural alerts using the RDKit and ChEMBL☆171Feb 17, 2026Updated 5 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Interactive molecule viewer for 2D structures☆257Dec 27, 2025Updated 7 months ago
- Scoring of shape and ESP similarity with RDKit☆236Aug 19, 2025Updated 11 months ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆33Feb 7, 2026Updated 6 months ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆32Dec 2, 2024Updated last year
- ☆19Jul 8, 2022Updated 4 years ago
- ☆13Nov 26, 2024Updated last year
- ☆55Sep 19, 2025Updated 10 months ago
- ☆13Dec 29, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- GPU-accelerated molecular docking software: Uni-Dock 2☆55Updated this week
- ☆16Jun 23, 2025Updated last year
- ☆15Dec 4, 2023Updated 2 years ago
- ☆50Oct 8, 2020Updated 5 years ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆55Jul 22, 2025Updated last year
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- A deep reinforcement learning library for conformer generation.☆20Apr 15, 2024Updated 2 years ago
- Molecular Processing Made Easy.☆545May 20, 2026Updated 2 months ago
- ☆15Apr 30, 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.
- Code to analyze the data from DNA-encoded libraries (DELs)☆11Jul 12, 2023Updated 3 years ago
- Library for training Gaussian Processes on Molecules☆36Jan 28, 2022Updated 4 years ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆175May 22, 2026Updated 2 months ago
- Mordred port in cpp☆57Feb 27, 2025Updated last year
- Open-source tool for synthons-based library design.☆91Jan 8, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 3 months ago
- Molecular Property Prediction using GP with a SOAP kernel☆22Nov 16, 2020Updated 5 years ago