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import numpy as np |
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from transformers import AutoTokenizer, AutoModelForSequenceClassification, EsmForSequenceClassification |
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from transformers import set_seed |
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import torch |
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import torch.nn as nn |
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import warnings |
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from tqdm import tqdm |
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import gradio as gr |
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warnings.filterwarnings('ignore') |
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device = "cpu" |
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model_checkpoint1 = "facebook/esm2_t12_35M_UR50D" |
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tokenizer = AutoTokenizer.from_pretrained(model_checkpoint1) |
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class MyModel(nn.Module): |
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def __init__(self): |
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super().__init__() |
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self.bert1 = EsmForSequenceClassification.from_pretrained(model_checkpoint1, num_labels=3000) |
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self.bn1 = nn.BatchNorm1d(256) |
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self.bn2 = nn.BatchNorm1d(128) |
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self.bn3 = nn.BatchNorm1d(64) |
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self.relu = nn.LeakyReLU() |
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self.fc1 = nn.Linear(3000, 256) |
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self.fc2 = nn.Linear(256, 128) |
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self.fc3 = nn.Linear(128, 64) |
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self.output_layer = nn.Linear(64, 2) |
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self.dropout = nn.Dropout(0.3) |
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def forward(self, x): |
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with torch.no_grad(): |
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bert_output = self.bert1(input_ids=x['input_ids'], |
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attention_mask=x['attention_mask']) |
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output_feature = self.dropout(bert_output["logits"]) |
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output_feature = self.dropout(self.relu(self.bn1(self.fc1(output_feature)))) |
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output_feature = self.dropout(self.relu(self.bn2(self.fc2(output_feature)))) |
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output_feature = self.dropout(self.relu(self.bn3(self.fc3(output_feature)))) |
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output_feature = self.dropout(self.output_layer(output_feature)) |
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return torch.softmax(output_feature, dim=1) |
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def AMP(test_sequences, model): |
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max_len = 18 |
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test_data = tokenizer(test_sequences, max_length=max_len, padding="max_length", truncation=True, |
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return_tensors='pt') |
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model = model.to(device) |
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model.eval() |
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out_probability = [] |
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with torch.no_grad(): |
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predict = model(test_data) |
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out_probability.extend(np.max(np.array(predict.cpu()), axis=1).tolist()) |
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test_argmax = np.argmax(predict.cpu(), axis=1).tolist() |
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id2str = {0: "non-AMP", 1: "AMP"} |
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return id2str[test_argmax[0]], out_probability[0] |
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def classify_sequence(sequence): |
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valid_amino_acids = set("ACDEFGHIKLMNPQRSTVWY") |
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sequence = sequence.upper() |
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if all(aa in valid_amino_acids for aa in sequence) and len(sequence) >= 3: |
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result, probability = AMP(sequence, model) |
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return "yes" if result == "AMP" else "no" |
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else: |
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return "Invalid Sequence" |
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model = MyModel() |
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model.load_state_dict(torch.load("best_model.pth", map_location=torch.device('cpu'))) |
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if __name__ == "__main__": |
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title = """<h1 align="center">🔥AMP Sequence Detector</h1>""" |
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css = ".json {height: 527px; overflow: scroll;} .json-holder {height: 527px; overflow: scroll;}" |
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theme = gr.themes.Soft(primary_hue="zinc", secondary_hue="blue", neutral_hue="green", |
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text_size=gr.themes.sizes.text_lg) |
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with gr.Blocks(css = """#col_container { margin-left: auto; margin-right: auto;} #chatbot {height: 520px; overflow: auto;}""", |
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theme=theme) as demo: |
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gr.Markdown("<h1>Diff-AMP</h1>") |
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gr.HTML(title) |
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gr.Markdown( |
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"<p align='center' style='font-size: 20px;'>🔥Welcome to Antimicrobial Peptide Recognition Model. See our <a href='https://github.com/wrab12/diff-amp'>Project</a></p>") |
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gr.HTML( |
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'''<center> |
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<a href="https://huggingface.co/spaces/jackrui/ampD?duplicate=true"> |
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<img src="https://bit.ly/3gLdBN6" alt="Duplicate Space"> |
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</a> |
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</center>''') |
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gr.HTML( |
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'''<center>🌟Note: This is an antimicrobial peptide recognition model derived from Diff-AMP, which is a branch of a comprehensive system integrating generation, recognition, and optimization. In this recognition model, you can simply input a sequence, and it will predict whether it is an antimicrobial peptide. Due to limited website capacity, we can only perform simple predictions. |
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If you require large-scale computations, please contact my email at wangrui66677@gmail.com. Feel free to reach out if you have any questions or inquiries.</center>''') |
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examples = [ |
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["QGLFFLGAKLFYLLTLFL"], |
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["FLGLLFHGVHHVGKWIHGLIHGHH"], |
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["GLMSTLKGAATNAAVTLLNKLQCKLTGTC"] |
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] |
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iface = gr.Interface( |
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fn=classify_sequence, |
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inputs="text", |
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outputs="text", |
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examples=examples |
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) |
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gr.Markdown( |
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"<p align='center'><img src='https://pic4.zhimg.com/v2-eb2a7c0e746e67d1768090eec74f6787_b.jpg'></p>") |
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gr.Markdown("<p align='center' style='font-size: 20px;'>Related job links in the same series: </p>") |
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gr.Markdown("<p align='center'><a href='https://huggingface.co/spaces/jackrui/ampG'><img style='margin:-0.8em 0 2em 0;' src='https://shields.io/badge/Diff_AMP-Generator-blue' alt='Diff_AMP-Generator-blue'></a></p>" |
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"<p align='center'><a href='https://huggingface.co/spaces/jackrui/ampPP'><img style='margin:-0.8em 0 2em 0;' src='https://shields.io/badge/Diff_AMP-property_prediction-blue' alt='Diff_AMP-property_prediction-blue'></a></p>") |
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gr.Markdown('''📝 **Citation** |
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If our work is useful for your research, please consider citing: |
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``` |
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waiting... |
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``` |
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📋 **License** |
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None |
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📧 **Contact** |
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If you have any questions, please feel free to reach me out at <b>wangrui66677@gmail.com</b>. |
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🤗 **Find Me:** |
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<style type="text/css"> |
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td { |
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padding-right: 0px !important; |
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} |
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</style> |
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<table> |
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<tr> |
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<td><a href="https://github.com/wrab12"><img style="margin:-0.8em 0 2em 0" src="https://img.shields.io/github/followers/wrab12?style=social" alt="Github Follow"></a></td> |
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</tr> |
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</table> |
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<center><img src='https://api.infinitescript.com/badgen/count?name=jackrui/ampD<ext=Visitors&color=6dc9aa' alt='visitors'></center> |
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""" |
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''') |
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demo.launch() |
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