transformers/docs/source/en/model_doc/esm.mdx
Matt 368b649af6
Rebase ESM PR and update all file formats (#19055)
* Rebase ESM PR and update all file formats

* Fix test relative imports

* Add __init__.py to the test dir

* Disable gradient checkpointing

* Remove references to TFESM... FOR NOW >:|

* Remove completed TODOs from tests

* Convert docstrings to mdx, fix-copies from BERT

* fix-copies for the README and index

* Update ESM's __init__.py to the modern format

* Add to _toctree.yml

* Ensure we correctly copy the pad_token_id from the original ESM model

* Ensure we correctly copy the pad_token_id from the original ESM model

* Tiny grammar nitpicks

* Make the layer norm after embeddings an optional flag

* Make the layer norm after embeddings an optional flag

* Update the conversion script to handle other model classes

* Remove token_type_ids entirely, fix attention_masking and add checks to convert_esm.py

* Break the copied from link from BertModel.forward to remove token_type_ids

* Remove debug array saves

* Begin ESM-2 porting

* Add a hacky workaround for the precision issue in original repo

* Code cleanup

* Remove unused checkpoint conversion code

* Remove unused checkpoint conversion code

* Fix copyright notices

* Get rid of all references to the TF weights conversion

* Remove token_type_ids from the tests

* Fix test code

* Update src/transformers/__init__.py

Co-authored-by: Sylvain Gugger <35901082+sgugger@users.noreply.github.com>

* Update src/transformers/__init__.py

Co-authored-by: Sylvain Gugger <35901082+sgugger@users.noreply.github.com>

* Update README.md

Co-authored-by: Sylvain Gugger <35901082+sgugger@users.noreply.github.com>

* Add credit

* Remove _ args and __ kwargs in rotary embedding

* Assertively remove asserts

* Replace einsum with torch.outer()

* Fix docstring formatting

* Remove assertions in tokenization

* Add paper citation to ESMModel docstring

* Move vocab list to single line

* Remove ESMLayer from init

* Add Facebook copyrights

* Clean up RotaryEmbedding docstring

* Fix docstring formatting

* Fix docstring for config object

* Add explanation for new config methods

* make fix-copies

* Rename all the ESM- classes to Esm-

* Update conversion script to allow pushing to hub

* Update tests to point at my repo for now

* Set config properly for tests

* Remove the gross hack that forced loss of precision in inv_freq and instead copy the data from the model being converted

* make fixup

* Update expected values for slow tests

* make fixup

* Remove EsmForCausalLM for now

* Remove EsmForCausalLM for now

* Fix padding idx test

* Updated README and docs with ESM-1b and ESM-2 separately (#19221)

* Updated README and docs with ESM-1b and ESM-2 separately

* Update READMEs, longer entry with 3 citations

* make fix-copies

Co-authored-by: Your Name <you@example.com>

Co-authored-by: Sylvain Gugger <35901082+sgugger@users.noreply.github.com>
Co-authored-by: Tom Sercu <tsercu@fb.com>
Co-authored-by: Your Name <you@example.com>
2022-09-30 14:16:25 +01:00

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# ESM
## Overview
This page provides code and pre-trained weights for Transformer protein language models from Meta AI's Fundamental
AI Research Team, providing the state-of-the-art ESM-2, and the previously released ESM-1b and ESM-1v. Transformer
protein language models were introduced in the paper [Biological structure and function emerge from scaling
unsupervised learning to 250 million protein sequences](https://www.pnas.org/content/118/15/e2016239118) by
Alexander Rives, Joshua Meier, Tom Sercu, Siddharth Goyal, Zeming Lin, Jason Liu, Demi Guo, Myle Ott,
C. Lawrence Zitnick, Jerry Ma, and Rob Fergus.
The first version of this paper was [preprinted in 2019](https://www.biorxiv.org/content/10.1101/622803v1?versioned=true).
ESM-2 outperforms all tested single-sequence protein language models across a range of structure prediction tasks,
and enables atomic resolution structure prediction.
It was released with the paper [Language models of protein sequences at the scale of evolution enable accurate
structure prediction](https://doi.org/10.1101/2022.07.20.500902) by Zeming Lin, Halil Akin, Roshan Rao, Brian Hie,
Zhongkai Zhu, Wenting Lu, Allan dos Santos Costa, Maryam Fazel-Zarandi, Tom Sercu, Sal Candido and Alexander Rives.
The abstract from
"Biological structure and function emerge from scaling unsupervised learning to 250
million protein sequences" is
*In the field of artificial intelligence, a combination of scale in data and model capacity enabled by unsupervised
learning has led to major advances in representation learning and statistical generation. In the life sciences, the
anticipated growth of sequencing promises unprecedented data on natural sequence diversity. Protein language modeling
at the scale of evolution is a logical step toward predictive and generative artificial intelligence for biology. To
this end, we use unsupervised learning to train a deep contextual language model on 86 billion amino acids across 250
million protein sequences spanning evolutionary diversity. The resulting model contains information about biological
properties in its representations. The representations are learned from sequence data alone. The learned representation
space has a multiscale organization reflecting structure from the level of biochemical properties of amino acids to
remote homology of proteins. Information about secondary and tertiary structure is encoded in the representations and
can be identified by linear projections. Representation learning produces features that generalize across a range of
applications, enabling state-of-the-art supervised prediction of mutational effect and secondary structure and
improving state-of-the-art features for long-range contact prediction.*
The abstract from
"Language models of protein sequences at the scale of evolution enable accurate structure prediction" is
*Large language models have recently been shown to develop emergent capabilities with scale, going beyond
simple pattern matching to perform higher level reasoning and generate lifelike images and text. While
language models trained on protein sequences have been studied at a smaller scale, little is known about
what they learn about biology as they are scaled up. In this work we train models up to 15 billion parameters,
the largest language models of proteins to be evaluated to date. We find that as models are scaled they learn
information enabling the prediction of the three-dimensional structure of a protein at the resolution of
individual atoms. We present ESMFold for high accuracy end-to-end atomic level structure prediction directly
from the individual sequence of a protein. ESMFold has similar accuracy to AlphaFold2 and RoseTTAFold for
sequences with low perplexity that are well understood by the language model. ESMFold inference is an
order of magnitude faster than AlphaFold2, enabling exploration of the structural space of metagenomic
proteins in practical timescales.*
Tips:
- ESM models are trained with a masked language modeling (MLM) objective.
The original code can be found [here](https://github.com/facebookresearch/esm) and was
was developed by the Fundamental AI Research team at Meta AI.
This model was contributed to huggingface by [jasonliu](https://huggingface.co/jasonliu)
and [Matt](https://huggingface.co/Rocketknight1).
## EsmConfig
[[autodoc]] EsmConfig
- all
## EsmTokenizer
[[autodoc]] EsmTokenizer
- build_inputs_with_special_tokens
- get_special_tokens_mask
- create_token_type_ids_from_sequences
- save_vocabulary
## EsmModel
[[autodoc]] EsmModel
- forward
## EsmForMaskedLM
[[autodoc]] EsmForMaskedLM
- forward
## EsmForSequenceClassification
[[autodoc]] EsmForSequenceClassification
- forward
## EsmForTokenClassification
[[autodoc]] EsmForTokenClassification
- forward