ChemBERTa-3 Repo
☆57Jan 9, 2026Updated 3 months ago
Alternatives and similar repositories for chemberta3
Users that are interested in chemberta3 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Dec 5, 2024Updated last year
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆18Jan 2, 2026Updated 4 months ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆17Dec 12, 2024Updated last year
- ☆13May 21, 2024Updated last year
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 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.
- ☆14Apr 16, 2024Updated 2 years ago
- ☆23Dec 4, 2025Updated 5 months ago
- Smash molecule and obtain significant fragments☆20Jun 17, 2021Updated 4 years ago
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆16Sep 10, 2024Updated last year
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16May 5, 2022Updated 3 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆130Feb 1, 2026Updated 3 months ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆13Apr 19, 2024Updated 2 years ago
- Generate customized voxel representations of protein-ligand complexes using GPU.☆11Sep 8, 2025Updated 7 months ago
- Chemprop benchmarking scripts and data for v1☆33Jun 4, 2024Updated last year
- 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.
- coming soon☆28May 9, 2023Updated 2 years ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆71Nov 22, 2025Updated 5 months ago
- ☆62Updated this week
- ☆15Feb 20, 2025Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆198Apr 26, 2026Updated last week
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Biological Relationships - Biorels data preparation infrastructure for biology and drug discovery☆15May 19, 2025Updated 11 months ago
- ☆37Jan 26, 2026Updated 3 months 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.
- GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to crea…☆179Jan 14, 2026Updated 3 months ago
- MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational d…☆10Sep 1, 2020Updated 5 years ago
- Protein design and sculpting using Rosetta and Deep learning methods (RFDiff and Alphafold2)☆54Apr 24, 2026Updated last week
- ☆27Oct 14, 2024Updated last year
- 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
- Predicting molecular structure from multimodal spectroscopic data☆25Mar 9, 2026Updated last month
- ☆12Jan 25, 2026Updated 3 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆36Apr 14, 2026Updated 3 weeks ago
- Python code to automatically interact with PDBePISA web server☆10Jun 27, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated 8 months ago
- A lightweight, single header OpenGL engine.☆15Sep 6, 2025Updated 7 months ago
- ☆16Mar 28, 2025Updated last year
- Protein design and variant prediction using autoregressive generative models☆23Feb 27, 2023Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- Apply fine-tuning and transfer learning for regression to ChemBERTa, a BERT-like model applied to chemical SMILES data.☆19Jan 12, 2024Updated 2 years ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year