datamol-io/safe-gpt
SAFE Molecules Dataset (v2) A large-scale molecular dataset containing approximately 1.17 billion unique molecules, each represented with both canonical SMILES and SAFE (Sequential Attachment-based Fragment Embedding) strings. This dataset is intended to support large-scale pretraining and evaluation of chemical language models, including generative, conditional, and structure-aware modeling tasks. Note This is version 2 of the SAFE dataset. The original v1 release contained… See the full description on the dataset page: https://huggingface.co/datasets/datamol-io/safe-gpt.
| Author / organization | datamol-io |
|---|---|
| License (as declared) | apache-2.0 |
| Downloads | 1.8K (as reported by Hugging Face) |
| Likes | 4 |
| Created | 28 October 2023 |
| Last updated at source | 12 January 2026 |
Popularity, last 3 days
1,834 now (+147 since 2026-10-16). Counts as reported by the source, snapshotted daily by Silytics.
Connected in the knowledge graph
- nielsr/MS-GPT-SAFE-GPT-BaseModel · used to train
Recent changes
- 18 Oct 2026 Description: none → SAFE Molecules Dataset (v2) A large-scale molecular dataset containing approximately 1.17 billion unique molecules, each represented with both canonical SMILES and SAFE (Sequential Attachment-based Fragment Embedding) strings. This dataset
- 18 Oct 2026 Topics added task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery removed transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible
- 18 Oct 2026 Topics added transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible removed task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery
- 17 Oct 2026 Description: none → SAFE Molecules Dataset (v2) A large-scale molecular dataset containing approximately 1.17 billion unique molecules, each represented with both canonical SMILES and SAFE (Sequential Attachment-based Fragment Embedding) strings. This dataset
- 17 Oct 2026 Topics added task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery removed transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible
- 17 Oct 2026 Topics added transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible removed task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery
- 17 Oct 2026 Description: none → SAFE Molecules Dataset (v2) A large-scale molecular dataset containing approximately 1.17 billion unique molecules, each represented with both canonical SMILES and SAFE (Sequential Attachment-based Fragment Embedding) strings. This dataset
- 17 Oct 2026 Topics added task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery removed transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible
- 17 Oct 2026 Topics added transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible removed task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery
- 16 Oct 2026 Description: none → SAFE Molecules Dataset (v2) A large-scale molecular dataset containing approximately 1.17 billion unique molecules, each represented with both canonical SMILES and SAFE (Sequential Attachment-based Fragment Embedding) strings. This dataset
- 16 Oct 2026 Topics added task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery removed transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible
- 16 Oct 2026 Topics added transformers, pytorch, gpt2, text-generation-inference, endpoints_compatible removed task_categories:text-generation, chemistry, molecules, smiles, safe, drug-discovery
Changes detected by Silytics between refreshes of the source.
Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 18 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.