readme: ---
  license: mit
  widget:
   - text: "MERVAVVGVPMDLGANRRGVDMGPSALRYARLLEQLEDLGYTVEDLGDVPVSLARASRRRGRGLAYLEEIRAAALVLKERLAALPEGVFPIVLGGDHSLSMGSVAGAARGRRVGVVWVDAHADFNTPETSPSGNVHGMPLAVLSGLGHPRLTEVFRAVDPKDVVLVGVRSLDPGEKRLLKEAGVRVY"
  ---
  
  ## Label Semantics:
  
  Label 0: Non-crystallizable (Negative)
  
  Label 1: Crystallizable (Positive)
  
  ## Dataset
  
  1. [DeepCrystal Train](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/blob/main/Datasets/train.csv)
  2. [DeepCrystal Test](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/blob/main/Datasets/test.csv)
  3. [BCrystal Test](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/tree/main/Datasets/BCrystal_Balanced_Test_set)
  4. [SP Test](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/tree/main/Datasets/SP_Final_set)
  5. [TR Test](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/tree/main/Datasets/TR_Final_set)
  
  ## 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](https://huggingface.co/facebook/esm2_t12_35M_UR50D), 
  having 12 layers and 35M parameters with size of [approx. 136MB](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/blob/main/pytorch_model.bin)
  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 |
  |                   |             |               |               |        |            |           |            |                   |                   |                   |                   |               |                          |                   |                   |
  
  
  ## Graphs
  
  ### ROC-AUC Curve
  
  * DeepCrystal Test
  ![Test ROC-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/blob/main/Graphs/ROC-final-test.png?raw=true)
  
  * BCrystal Test
  ![BCrystal Test ROC-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t12_35M_v2/blob/main/Graphs/ROC-final-BCtest.png?raw=true)
  
  * SP Test
  ![SP Te