Sentence Similarity
sentence-transformers
Safetensors
roberta
molecular-similarity
feature-extraction
dense
Generated from Trainer
loss:Matryoshka2dLoss
loss:MatryoshkaLoss
loss:TanimotoSentLoss
Eval Results (legacy)
text-embeddings-inference
Instructions to use Derify/ChemMRL-beta with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- sentence-transformers
How to use Derify/ChemMRL-beta with sentence-transformers:
from sentence_transformers import SentenceTransformer model = SentenceTransformer("Derify/ChemMRL-beta") sentences = [ "CC1CCc2c(N)nc(C3CCCC3)n2C1", "CC1CCc2c(N)nc(OC3CC3)n2C1", "CN1CC[NH+](C[C@H](O)C2CC2)C2(CCCCC2)C1", "Cc1c(F)cc(CNCC2CCC(C3CCC(C)CO3)CO2)cc1F" ] embeddings = model.encode(sentences) similarities = model.similarity(embeddings, embeddings) print(similarities.shape) # [4, 4] - Notebooks
- Google Colab
- Kaggle
Update README.md
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README.md
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| | smiles_a | smiles_b | label |
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| details | <ul><li>min: 17 tokens</li><li>mean: 39.66 tokens</li><li>max: 119 tokens</li></ul> | <ul><li>min: 11 tokens</li><li>mean: 38.29 tokens</li><li>max: 115 tokens</li></ul> | <ul><li>min: 0.02</li><li>mean: 0.57</li><li>max: 1.0</li></ul> |
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* Samples:
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| smiles_a | smiles_b | label |
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| <code>OCCN1CC[NH+](Cc2ccccc2OC2CC2)CC1</code> | <code>OCCN1CC[NH+](Cc2ccccc2On2cccn2)CC1</code> | <code>0.6615384817123413</code> |
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| <code>CC1CN(C(=O)C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)CC(C)O1</code> | <code>CC1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC(C)O1</code> | <code>0.7123287916183472</code> |
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* Loss: [<code>Matryoshka2dLoss</code>](https://sbert.net/docs/package_reference/sentence_transformer/losses.html#matryoshka2dloss) with these parameters:
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<details><summary>Click to expand</summary>
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| | smiles_a | smiles_b | label |
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| details | <ul><li>min: 17 tokens</li><li>mean: 39.66 tokens</li><li>max: 119 tokens</li></ul> | <ul><li>min: 11 tokens</li><li>mean: 38.29 tokens</li><li>max: 115 tokens</li></ul> | <ul><li>min: 0.02</li><li>mean: 0.57</li><li>max: 1.0</li></ul> | | <code>0.7123287916183472</code> |
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* Loss: [<code>Matryoshka2dLoss</code>](https://sbert.net/docs/package_reference/sentence_transformer/losses.html#matryoshka2dloss) with these parameters:
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<details><summary>Click to expand</summary>
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