☆22May 9, 2025Updated last year
Alternatives and similar repositories for elembert
Users that are interested in elembert are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Binding affinity prediction for drug discovery☆10Aug 28, 2025Updated last year
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 6 years ago
- Generate graph representations of protein binding sites.☆10Dec 8, 2021Updated 4 years ago
- ☆19May 15, 2025Updated last year
- Official code for the publication "Construction of order-independent molecular fragments space with vector quantised graph autoencoder".☆12May 15, 2026Updated 5 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Report…☆73Oct 8, 2026Updated 3 weeks ago
- ☆11Jan 5, 2022Updated 4 years ago
- US EPA's Toxicity Reference Database (ToxRefDB)☆29Aug 13, 2025Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆42Jan 14, 2023Updated 3 years ago
- Automating Data Extraction from Scientific Literature and General PDF Files Using Large Language Models and KNIME: An Application in Toxi…☆11Sep 4, 2026Updated 2 months ago
- Repository for Multitask Toxicity with Contrastive Explanation☆14Sep 18, 2025Updated last year
- Code to load and fit dose response curves in a Bayesian inference framework☆10May 25, 2020Updated 6 years ago
- ☆29Jun 18, 2023Updated 3 years ago
- ☆10Sep 16, 2024Updated 2 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.
- ☆14Dec 16, 2022Updated 3 years ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆30Dec 2, 2025Updated 11 months ago
- DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding …☆29Oct 22, 2024Updated 2 years ago
- A place for the IEP community to share resources for data analysis☆13Sep 15, 2026Updated last month
- ☆12Sep 2, 2026Updated 2 months ago
- A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions☆11Aug 15, 2025Updated last year
- ☆17Apr 18, 2024Updated 2 years ago
- Script developed to extract information from xml files including chemical reactions from US patents (1976-Sep2016) curated by Daniel M Lo…☆11Sep 18, 2025Updated last year
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆59Jun 29, 2023Updated 3 years 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.
- Explore Mixture of Experts in Graph Neural Networks☆11Dec 11, 2019Updated 6 years ago
- ET-Tox☆13Oct 4, 2024Updated 2 years ago
- A 100%-free personalizable job-scraper / dashboard that requires zero installation/software/coding. Get a job!☆18Updated this week
- ☆10Oct 18, 2023Updated 3 years ago
- A Python tool for creating and downsampling chemical pointclouds.☆15Sep 10, 2026Updated last month
- Codes and dataset for the paper: Is ChatGPT Involved in Texts? Measure the Polish Ratio to Detect ChatGPT-Generated Text☆10Aug 1, 2024Updated 2 years ago
- Machine Learning based toxicity prediction tool for small molecules.☆11Feb 13, 2024Updated 2 years ago
- Assessing Boltz-2 performance for the binding classification of docking hits☆11Jan 5, 2026Updated 10 months ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 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.
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆13Jan 22, 2024Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆40Jan 23, 2024Updated 2 years ago
- ☆11Apr 11, 2023Updated 3 years ago
- toxpiR R package for the Toxicological Priority Index (ToxPi) algorithm.☆11Jun 15, 2026Updated 4 months ago
- C++ data engine for PrexSyn☆11Sep 11, 2026Updated last month
- ☆13Apr 15, 2024Updated 2 years ago
- ☆17Mar 24, 2026Updated 7 months ago