Tokenizer for chemnical SMILES and SELFIES for use in transformers models.
☆28Aug 22, 2025Updated last year
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 9 months ago
- ☆10Apr 4, 2024Updated 2 years ago
- DOCK6 is a molecular docking program.☆23Apr 27, 2026Updated 6 months ago
- ☆15Aug 29, 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.
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆225Apr 11, 2023Updated 3 years ago
- A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions☆11Aug 15, 2025Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- Molecular graph neural networks for predicting chemical properties, with a focus on fuels☆34Jul 23, 2026Updated 3 months ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 5 years ago
- AutoML system for building trustworthy peptide bioactivity predictors☆42Oct 25, 2026Updated 2 weeks ago
- ☆78Jul 12, 2023Updated 3 years ago
- ☆11Apr 2, 2024Updated 2 years ago
- REKINDLE is a python package for training the generative adversarial networks (GANs) to parametrize large-scale nonlinear kinetic models …☆10Oct 11, 2022Updated 4 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.
- ☆42Oct 8, 2026Updated last month
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆30Jan 23, 2025Updated last year
- ☆27Aug 25, 2026Updated 2 months ago
- ☆14Nov 2, 2024Updated 2 years ago
- A Python module implemented in Rust for Phonopy☆11Updated this week
- CADD/AIDD教学网☆18Oct 24, 2026Updated 2 weeks ago
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆21Oct 23, 2025Updated last year
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆864May 17, 2025Updated last year
- Official repository for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆36Mar 19, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Official implementation of "Dynamic Many-Objective Molecular Optimization: Unfolding Complexity with Objective Decomposition and Progress…☆10Aug 3, 2024Updated 2 years ago
- Binding affinity prediction for drug discovery☆10Aug 28, 2025Updated last year
- A package to compute the heat flux for MACE machine-learned force fields☆12Sep 12, 2026Updated last month
- Implementing LRP (Layer-wise Relevance Propagation) for a sequence-to-sequence model with GRU layers.☆12Sep 8, 2023Updated 3 years ago
- Repository for material from the 2022 MC/MD Summer Workshop☆15Jul 12, 2024Updated 2 years ago
- QSPR-based PyTorch models for fuel property prediction, with bundled datasets and analytical blend rules☆19Sep 7, 2026Updated 2 months ago
- ☆10Jun 5, 2021Updated 5 years ago
- ☆13Mar 17, 2024Updated 2 years ago
- ☆11Updated this week
- 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.
- DTMOL: a diffusion transformer model for target-based molecular docking☆10Jun 8, 2026Updated 5 months ago
- A quantitative benchmark and analysis of molecular large language models.☆20Jun 3, 2025Updated last year
- Pytorch Implementation of MD4: Simplified and Generalized Masked Diffusion for Discrete Data☆13Feb 5, 2025Updated last year
- Learning Resources Sharing FPTU campus HCMC (Artificial Intelligence)☆10Nov 2, 2022Updated 4 years ago
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 7 months ago
- Assessing Boltz-2 performance for the binding classification of docking hits☆11Jan 5, 2026Updated 10 months ago
- ProLint 2.0: a scalable framework for the analysis of biomolecular interactions in MD simulations.☆12Jun 14, 2026Updated 4 months ago
Are these results useful?