App for serotonergic targets
☆12Jan 8, 2026Updated 6 months ago
Alternatives and similar repositories for SerotoninAI_streamlit
Users that are interested in SerotoninAI_streamlit are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Coding examples used in Merrimack College Computer Science courses☆21Jun 10, 2025Updated last year
- This package provides helper classes for completing course work and research at Merrimack College☆17Aug 27, 2025Updated 10 months ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- 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
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆32Jul 13, 2026Updated last week
- 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.
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 4 months ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly …☆19Feb 22, 2026Updated 5 months ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 years ago
- ☆14Jun 23, 2025Updated last year
- A Deep Learning Framework for Allosteric Site Prediction☆17May 21, 2025Updated last year
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- ☆11May 25, 2026Updated last month
- Public version for DistPepFold☆10Jul 17, 2025Updated last year
- 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.
- ☆12Oct 9, 2024Updated last year
- ☆11Mar 28, 2024Updated 2 years ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- ☆23Dec 11, 2024Updated last year
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆22Sep 23, 2025Updated 10 months ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- ☆13Oct 9, 2024Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 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.
- ☆13Apr 15, 2024Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated last month
- ☆13May 24, 2026Updated 2 months ago
- Pocket dynamics analysis tool☆18Apr 24, 2026Updated 3 months ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 2 years ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆23Feb 2, 2024Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 4 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years 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.
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Jul 20, 2021Updated 5 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆101Jul 29, 2024Updated last year
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago