☆20Jul 10, 2026Updated last week
Alternatives and similar repositories for BitBIRCH_AC
Users that are interested in BitBIRCH_AC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- targeted undersampling strategy for DEL☆15Sep 22, 2025Updated 9 months ago
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆14Apr 23, 2025Updated last year
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆23Jul 1, 2026Updated 2 weeks ago
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Jul 7, 2026Updated last week
- protein structure prediction with precision☆29May 14, 2024Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆125Updated this week
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆64Nov 12, 2025Updated 8 months ago
- BitBIRCH clustering algorithm☆130Oct 21, 2025Updated 8 months ago
- Chemical Space Visualization☆21Mar 18, 2026Updated 4 months ago
- Cheminformatics package from the Miranda-Quintana group☆22Jun 20, 2026Updated last month
- In process work on active learning tutorials☆10Feb 19, 2024Updated 2 years ago
- Tutoriales de Quimioinformática aplicada al diseño de fármacos☆21Mar 28, 2025Updated last year
- ☆45Mar 18, 2022Updated 4 years ago
- Searching for structural similarities across billions of molecules in milliseconds☆105Jun 15, 2026Updated last month
- 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.
- MolModa provides a secure, accessible environment where users can perform molecular docking entirely in their web browsers.☆21Jul 11, 2026Updated last week
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- ☆16Dec 14, 2023Updated 2 years ago
- A python package for performing GROMACS simulation ensembles☆22Jul 12, 2026Updated last week
- fastsolv python package, website, and paper code☆50Aug 27, 2025Updated 10 months ago
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆24Sep 26, 2024Updated last year
- Discord bot created by ColorStack at UW-Madison to track and post internship opportunities within your Discord server☆10Apr 21, 2026Updated 2 months ago
- CheMeleon Descriptor-based Foundation Model☆142Jul 7, 2026Updated last week
- Creating machine learning algorithms from scratch☆19Apr 15, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 5 months ago
- ☆77Feb 17, 2026Updated 5 months ago
- MAGPIE☆17May 5, 2024Updated 2 years ago
- This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaborat…☆93Jun 3, 2025Updated last year
- Next generation machine learning force field on enzymatic catalysis☆17Updated this week
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- The home of the SMARTS-RX project☆33Nov 14, 2025Updated 8 months ago
- A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…☆265Jul 9, 2026Updated last week
- EnsembleFlex - Flexibility Analysis of Structure Ensembles☆19Sep 10, 2025Updated 10 months 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.
- A complete guide to building a self-hosted Kubernetes cloud on bare hardware☆16Apr 1, 2026Updated 3 months ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- Mordred port in cpp☆56Feb 27, 2025Updated last year
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated 2 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆14Feb 20, 2023Updated 3 years ago
- Toolkit for large scale ADMET modelling☆29Jul 13, 2026Updated last week
- ☆18Dec 3, 2025Updated 7 months ago