ESMCrystal_t12_35M_v2

jaykmr/ESMCrystal_t12_35M_v2

ESMCrystal_t12_35M_v2 is a text classification model from jaykmr. Use it when you need a label for a piece of text. It is set up for transformers. The card lists the license as mit.

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34M

1.1 GB on disk

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Hugging Face

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.pt268 MB · 49%

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F3234M · 100%

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Model card

From the Hugging Face model README

Label Semantics:

Label 0: Non-crystallizable (Negative)

Label 1: Crystallizable (Positive)

Dataset

Model

ESMCrystal_t12_35M_v2

ESMCrystal_t12_35M_v2 is a state-of-the-art protein crystallization prediction model finetuned on esm2_t12_35M_UR50D, having 12 layers and 35M parameters with size of approx. 136MB using transfer learning to predict whether an input protein sequence will crystallize or not.

Accuracy :

Dataset	Accuracy
DeepCrystal Test	0.8161222339304531
BCrystal test	0.8052602126468943
SP test	0.7637130801687764
TR test	0.8389328063241107

Comparision Table:

Dataset	Count	Positives	Negatives	TP	FP	FN	TN	Precision	Recall	F1	Accuracy	ROC	Mathew's Coefficient	PPV	NPV

DeepCrystalTest	1898	898	1000	579	319	30	970	0.64476615	0.95073892	0.76841407	0.81612223	0.9403	0.657526117	0.64476615	0.97

BCrystal Test	1787	891	896	573	318	30	866	0.64309764	0.95024876	0.76706827	0.80526021	0.9396	0.644635696	0.64309764	0.96651786

SP Test	237	148	89	97	51	5	84	0.65540541	0.95098039	0.776	0.76371308	0.9293	0.586069704	0.65540541	0.94382022

TR Test	1012	374	638	225	149	14	624	0.60160428	0.94142259	0.73409462	0.83893281	0.9562	0.658766192	0.60160428	0.97805643