Upload README.md

README.md

@@ -0,0 +1,73 @@
+---
+tags:
+- antibody language model
+- antibody
+base_model: Rostlab/prot_bert_bfd
+license: mit 
+---
+
+# IgBert unpaired model
+
+Pretrained model on protein and antibody sequences using a masked language modeling (MLM) objective. It was introduced in the paper [Large scale paired antibody language models](https://arxiv.org/abs/2403.17889). 
+
+The model is finetuned from ProtBert-BFD using single chain antibody sequences from unpaired OAS.
+
+# Use
+
+The model and tokeniser can be loaded using the `transformers` library
+
+```python
+from transformers import BertModel, BertTokenizer
+
+tokeniser = BertTokenizer.from_pretrained("Exscientia/IgBert_unpaired", do_lower_case=False)
+model = BertModel.from_pretrained("Exscientia/IgBert_unpaired", add_pooling_layer=False)
+```
+
+The tokeniser is used to prepare batch inputs 
+```python
+# single chain sequences
+sequences = [
+    "EVVMTQSPASLSVSPGERATLSCRARASLGISTDLAWYQQRPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDSAVYYCQQYSNWPLTFGGGTKVEIK",
+    "ALTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSKRPSGVSNRFSGSKSGNTASLTISGLQSEDEADYYCNSLTSISTWVFGGGTKLTVL"
+]
+
+# The tokeniser expects input of the form ["E V V M...", "A L T Q..."]
+sequences = [' '.join(sequence) for sequence in sequences] 
+
+tokens = tokeniser.batch_encode_plus(
+    sequences, 
+    add_special_tokens=True, 
+    pad_to_max_length=True, 
+    return_tensors="pt",
+    return_special_tokens_mask=True
+) 
+```
+
+Note that the tokeniser adds a `[CLS]` token at the beginning of each sequence, a `[SEP]` token at the end of each sequence and pads using the `[PAD]` token. For example a batch containing sequences `E V V M`, `A L` will be tokenised to `[CLS] E V V M [SEP]` and `[CLS] A L [SEP] [PAD] [PAD]`. 
+
+Sequence embeddings are generated by feeding tokens through the model
+
+```python
+output = model(
+    input_ids=tokens['input_ids'], 
+    attention_mask=tokens['attention_mask']
+)
+
+residue_embeddings = output.last_hidden_state
+```
+
+To obtain a sequence representation, the residue tokens can be averaged over like so
+
+```python
+import torch
+
+# mask special tokens before summing over embeddings
+residue_embeddings[tokens["special_tokens_mask"] == 1] = 0
+sequence_embeddings_sum = residue_embeddings.sum(1)
+
+# average embedding by dividing sum by sequence lengths
+sequence_lengths = torch.sum(tokens["special_tokens_mask"] == 0, dim=1)
+sequence_embeddings = sequence_embeddings_sum / sequence_lengths.unsqueeze(1)
+```
+
+For sequence level fine-tuning the model can be loaded with a pooling head by setting `add_pooling_layer=True` and using `output.pooler_output` in the down-stream task.