Molecular bloom filter tool
☆129Mar 23, 2026Updated last month
Alternatives and similar repositories for molbloom
Users that are interested in molbloom are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆47Jan 17, 2024Updated 2 years ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆21Jun 30, 2025Updated 10 months ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆232Apr 21, 2026Updated last week
- Machine Learning model for molecular micro-pKa prediction☆51Sep 28, 2024Updated last year
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- 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.
- A script to run structural alerts using the RDKit and ChEMBL☆166Feb 17, 2026Updated 2 months ago
- A tool for retrosynthetic planning☆822Apr 13, 2026Updated 2 weeks ago
- Explainer for black box models that predict molecule properties☆349Apr 1, 2026Updated last month
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Synthesis generative model☆47Apr 24, 2025Updated last year
- ☆24Jun 23, 2021Updated 4 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- An automated framework for generating optimized partial charges for molecules☆40Apr 6, 2026Updated 3 weeks ago
- Molecular filtering for drug discovery.☆73May 19, 2025Updated 11 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.
- Data generation and submission scripts for the QCArchive ecosystem.☆36Apr 21, 2026Updated last week
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated last month
- active learning for accelerated high-throughput virtual screening☆204Jun 15, 2024Updated last year
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Library for processing molecules and reactions in python way☆49Apr 25, 2026Updated last week
- ☆77Aug 3, 2023Updated 2 years ago
- Simple package for fast molecular similarity searches☆169Mar 11, 2026Updated last month
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆38Mar 8, 2024Updated 2 years ago
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 8 months ago
- CGRs, molecules and reactions manipulation☆51Oct 31, 2022Updated 3 years ago
- A Fast Chemical Graph Generator☆94Mar 5, 2026Updated last month
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆209Feb 15, 2025Updated last year
- CReM: chemically reasonable mutations framework☆268Mar 17, 2026Updated last month
- Make a bunch of molecules☆97Nov 22, 2024Updated last year
- Molecular Processing Made Easy.☆534Jun 10, 2024Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 2 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Facile exploration and assessment of chemical tautomer space.☆13Aug 20, 2025Updated 8 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Package for consistent reporting of relative free energy results☆42Updated this week
- ☆22Mar 11, 2023Updated 3 years ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆32Apr 26, 2023Updated 3 years ago
- molfeat - the hub for all your molecular featurizers☆225May 27, 2025Updated 11 months ago
- This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…☆133Aug 13, 2024Updated last year