Model reference · open weights

materials.selfies-ted

Available as managed deployment Embeddings ibm-research Embeddings 1 variants 3k dl/mo

materials.selfies-ted is an open-weight embedding model from ibm-research. AxForge deploys and operates it for you on dedicated EU-owned hardware — with the licence handled where one is required.

Available as managed deployment — configured and operated for you on dedicated EU hardware, quoted per deployment.

What it is

Released byIBM
Published underibm-research
TypeEmbedding models
TaskEmbeddings
Parameters (lead)358M
Context1k tokens
Runs withtransformers
Released2024-10-25
Popularity3k downloads / month
LicenceOpen weights

About

What materials.selfies-ted is

selfies-ted is an transformer based encoder decoder model for molecular representations using SELFIES.

Read the full model card

Usage

Import

from transformers import AutoTokenizer, AutoModel
import selfies as sf
import torch

Load the model and tokenizer

tokenizer = AutoTokenizer.from_pretrained("ibm/materials.selfies-ted")
model = AutoModel.from_pretrained("ibm/materials.selfies-ted")

Encode SMILES strings to selfies

smiles = "c1ccccc1"
selfies = sf.encoder(smiles)
selfies = selfies.replace("][", "] [")

Get embedding

token = tokenizer(selfies, return_tensors='pt', max_length=128, truncation=True, padding='max_length')
input_ids = token['input_ids']
attention_mask = token['attention_mask']
outputs = model.encoder(input_ids=input_ids, attention_mask=attention_mask)
model_output = outputs.last_hidden_state

input_mask_expanded = attention_mask.unsqueeze(-1).expand(model_output.size()).float()
sum_embeddings = torch.sum(model_output * input_mask_expanded, 1)
sum_mask = torch.clamp(input_mask_expanded.sum(1), min=1e-9)
model_output = sum_embeddings / sum_mask

Paper:

For more information contact indra.ipd@ibm.com

From the published model card. Full card on the HuggingFace links in the sidebar.

Using it via the API

Call it like any OpenAI endpoint

Once AxForge deploys materials-selfies-ted for you, it answers on the OpenAI-compatible API — the same base URL and keys as every other model. (materials-selfies-ted below is illustrative; you get the exact model name on deployment.)

$ curl -sS https://api.axforge.ai/v1/embeddings \
  -H "Authorization: Bearer $AXFORGE_API_KEY" \
  -H "Content-Type: application/json" \
  -d '{"model":"materials-selfies-ted","input":"text to embed"}'

Create an account — your API key is available in the console. 3M free tokens every 30 days with every new account.

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