Tokenizer for chemnical SMILES and SELFIES for use in transformers models.
☆28Aug 22, 2025Updated 11 months ago
Alternatives and similar repositories for apetokenizer
Users that are interested in apetokenizer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Jun 16, 2024Updated 2 years ago
- ☆29Jan 16, 2026Updated 7 months ago
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- AutoML system for building trustworthy peptide bioactivity predictors☆41Aug 4, 2026Updated 2 weeks ago
- ☆27Aug 10, 2026Updated last week
- 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.
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆223Apr 11, 2023Updated 3 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 3 years ago
- Implementing LRP (Layer-wise Relevance Propagation) for a sequence-to-sequence model with GRU layers.☆12Sep 8, 2023Updated 2 years ago
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆19Oct 23, 2025Updated 9 months ago
- ☆11Apr 2, 2024Updated 2 years ago
- ☆40Jan 26, 2026Updated 6 months ago
- Row is a command line tool that helps you manage workflows on HPC resources.☆19Updated this week
- A quantitative benchmark and analysis of molecular large language models.☆19Jun 3, 2025Updated last year
- Repository for material from the 2022 MC/MD Summer Workshop☆14Jul 12, 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.
- This repo contains the codes to run solvation free energy prediction.☆13May 1, 2022Updated 4 years ago
- ParetoDrug☆11Sep 3, 2024Updated last year
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- OpenMM plugin to interface with XTB☆20Nov 5, 2025Updated 9 months ago
- ☆17Jan 29, 2025Updated last year
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Jun 28, 2026Updated last month
- QM-based enzyme model generation and validation.☆21Jun 5, 2026Updated 2 months ago
- A deep learning system that predicts Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties from molecular stru…☆17Dec 8, 2025Updated 8 months ago
- Encoder-decoders for translating different chemical formats.☆21Sep 17, 2025Updated 11 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆42Jun 3, 2025Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆64Jun 1, 2026Updated 2 months ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 2 years ago
- ☆11Aug 10, 2023Updated 3 years ago
- ☆10Jul 13, 2026Updated last month
- ☆13Apr 15, 2024Updated 2 years ago
- Official implementation of "Learning the language of protein structures"☆42Mar 18, 2026Updated 5 months ago
- ☆15Jun 25, 2025Updated last year
- Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…☆17Apr 20, 2025Updated last year
- 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.
- Atom-in-SMILES tokenizer for SMILES strings.☆45Jul 29, 2024Updated 2 years ago
- ☆29Updated this week
- Unified machine learning model for predicting polymer properties through human language instructions☆34May 6, 2025Updated last year
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 6 months ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Aug 19, 2024Updated last year
- ☆15Aug 22, 2023Updated 2 years ago
- Recent application of graph neural network in drug discovery☆14Mar 19, 2020Updated 6 years ago