ibm-research/MoLFormer-XL-both-10pct

feature-extraction model by ibm-research

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MoLFormer is a class of models pretrained on SMILES string representations of up to 1.1B molecules from ZINC and PubChem. This repository is for the model pretrained on 10% of both datasets. It was introduced in the paper Large-Scale Chemical Language Representations Capture Molecular Structure and Properties by Ross et al. and first released in this repository. MoLFormer is a large-scale chemical language model designed with the intention of learning a model trained on small molecules which are represented as SMILES strings. MoLFormer leverges masked language modeling and employs a linear attention Transformer combined with rotary embeddings. An overview of the MoLFormer pipeline is seen in the image above. One can see that the transformer-based neural network model is trained on a large collection of chemical molecules represented by SMILES sequences from two public chemical datasets PubChem and ZINC in a self-supervised fashion. The MoLFormer architecture was designed with an…

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  1. MoLFormer-XL-both-10%
  2. Model Details
  3. Model Description
  4. Intended use and limitations
  5. Example code
  6. Training Details
  7. Data
  8. Hardware
  9. Evaluation
  10. Citation

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Model overview

ibm-research/MoLFormer-XL-both-10pct is a feature-extraction model repository published by ibm-research on Hugging Face. The source reports the transformers library.

This page summarizes Hub metadata. For intended use, training data, evaluation results and limitations, consult the original model card.

Model facts

Task
feature-extraction
Library
transformers
Recent downloads (30 days)
231,114
Cumulative likes
43
Hugging Face trending score
0
Reported safetensors parameters
46,805,760
Architecture
MolformerForMaskedLM
License
apache-2.0
Access
Not gated by Hugging Face
Created
2023-10-20T20:14:50.000Z
Last modified
2026-07-23T14:28:52.000Z

Compatibility and lineage

Language coverage was not reported.

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Model card and usage instructions

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Source: Hugging Face Hub. Metadata observed 2026-11-01T06:54:29.511Z. Daily imports are snapshots, not real-time monitoring.

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