Virtual screening and cheminformatics utilities
☆14Jan 20, 2016Updated 10 years ago
Alternatives and similar repositories for vs-utils
Users that are interested in vs-utils are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- Utilities for interacting with PubChem☆17Feb 11, 2015Updated 11 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- ☆10Sep 28, 2021Updated 4 years ago
- Target prediction☆14May 8, 2020Updated 6 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.
- Resources for Learning Cheminformatics with the RDKit☆19Apr 7, 2019Updated 7 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 8 years ago
- Essential Cheminformatics☆23May 25, 2010Updated 16 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- ☆22Jan 25, 2023Updated 3 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Dec 30, 2018Updated 7 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆47Jun 4, 2025Updated 11 months ago
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 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.
- ☆49Oct 8, 2020Updated 5 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Repository of Quantum Datasets Publicly Available☆64Jun 19, 2025Updated 11 months ago
- ☆17Dec 13, 2020Updated 5 years ago
- C++ Type Traits for Smart Pointers that are not included in the standard library, containing inheritance detection and member detection.☆14Dec 22, 2021Updated 4 years ago
- Alignment of spatial genomics data using deep Gaussian processes☆31Dec 14, 2022Updated 3 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆38Mar 5, 2026Updated 2 months ago
- A package for uncertainty estimation with PyTorch☆12Aug 26, 2021Updated 4 years ago
- Ligand-based Virtual Screening using Deep Learning☆16Mar 25, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- 16S pipeline using qiime2 created with snakemake☆12Updated this week
- A generative model for molecular generation via multi-step chemical reactions☆14Jul 24, 2024Updated last year
- SMARTS: 'regular expressions' for chemical structures☆22Jun 21, 2018Updated 7 years ago
- This repository holds the source of the all-in-one Akaunting Docker image available at:☆10Jul 31, 2018Updated 7 years ago
- Machine learning tools for Chemistry☆10Jan 5, 2018Updated 8 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆14Oct 21, 2024Updated last year
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- xsetwacom script to configure a Huion Kamvas Pro 13☆11Apr 26, 2020Updated 6 years ago
- Module and script to remove contamination in assembled genomes before submission to ncbi☆14Jul 28, 2025Updated 9 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.
- heterogeneous BLAST (H-BLAST), a fast parallel search tool for a heterogeneous computer that couples CPUs and GPUs, to accelerate BLASTX…☆12Jun 20, 2018Updated 7 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- A thermal rate constant calculator and kinetics Monte Carlo Simulator☆17Apr 12, 2024Updated 2 years ago
- Metagenomic search for novel CRISPR-transposons☆12Sep 30, 2021Updated 4 years ago
- Easy python script to find flats from ebay-kleinanzeigen, immowelt, immonet, wg-gesucht☆11May 26, 2025Updated last year
- ☆15Nov 7, 2022Updated 3 years ago
- Shape-based alignment of molecules using 3D point-based representation☆23Apr 8, 2026Updated last month