--- library_name: transformers tags: [] --- # FastESM ## A faster half-precision version of ESM2-650 that leverages FlashAttention2 FastESM is a fully Huggingface compatible version rewritten with a newer PyTorch Attention implementation which will run FlashAttention2 when possible. To produce the FastESM weights, we trained ESM2-650 50000 additional steps in fp16 mixed precision on [OMG50](tattabio/OMG_prot50) up to sequence length of **2048**. Outputting attentions and predicting contacts are not possible from SDPA. Various other optimizations also make the base implementation slightly different than the HF one. ## Use with 🤗 transformers ```python import torch from transformers import AutoModel, AutoTokenizer model_path = 'Synthyra/FastESM2_650' model = AutoModel.from_pretrained(model_path, torch_dtype=torch.float16, trust_remote_code=True).eval() tokenizer = AutoTokenizer.from_pretrained(model_path, trust_remote_code=True) sequence = 'MSEQWENCE' tokenized = tokenizer(sequence, return_tensors='pt') with torch.no_grad(): embeddings = model(**tokenized).last_hidden_state print(embeddings.shape) # (1, 11, 1280) ``` ## Embed entire datasets with no new code To embed a list of protein sequences **fast**, just call embed_dataset. Sequences are sorted to reduce padding tokens, so the progress bar is usually much longer than the actual time. ```python embeddings = model.embed_dataset( sequences=sequences, # list of protein strings batch_size=16, # embedding batch size max_len=2048, # truncate to max_len full_embeddings=True, # return residue-wise embeddings full_precision=False, # store as float32 pooling_type='mean', # use mean pooling if protein-wise embeddings num_workers=0, # data loading num workers sql=False, # return dictionary of sequences and embeddings ) _ = model.embed_dataset( sequences=sequences, # list of protein strings batch_size=16, # embedding batch size max_len=2048, # truncate to max_len full_embeddings=True, # return residue-wise embeddings full_precision=False, # store as float32 pooling_type='mean', # use mean pooling if protein-wise embeddings num_workers=0, # data loading num workers sql=True, # store sequences in local SQL database sql_db_path='embeddings.db', # path to .db file of choice ) ``` ## Comparison of half precisions Presumabely because we trained in mixed-precision fp16, fp16 has closer outputs to the fp32 weights then bf16. Therefore, we recommend loading in fp16. When summing the MSE of 1000 sequences vs. the fp32 weights: Average MSE for FP16: 0.00000140 Average MSE for BF16: 0.00004125 ### FlashAttention2 Requires PyTorch 2.5+ for the most savings, see [SDPA](https://pytorch.org/docs/stable/generated/torch.nn.functional.scaled_dot_product_attention.html). ### Citation