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DeepMASS2_GUI Public
DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis of mass spectral language.
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PyFingerprint Public
Python tool for generate fingerprints of a molecule
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KPIC2 Public
KPIC2: An Effective Framework for Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms
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MSBERT Public
Forked from zhanghailiangcsu/MSBERTImprove the accuracy of database search by using BERT to embed MS/MS reasonably
Python MIT License UpdatedOct 15, 2024 -
AutoMS2 Public
AutoMS is an open-source software Python library for LC-MS data management and analyses.
Python GNU Affero General Public License v3.0 UpdatedAug 22, 2024 -
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spectral_denoising Public
Forked from FanzhouKong/spectral_denoisingthis is the repository for publication contents for spectral denoising paper
Jupyter Notebook UpdatedAug 1, 2024 -
DeepMASS_Webserver Public
Forked from wustjie/Deepmass_webserver -
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awesome-mass-spectral-libraries Public
Forked from mwang87/awesome-mass-spectral-librariesCreative Commons Zero v1.0 Universal UpdatedMay 6, 2024 -
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awesome-mass-spectrometry-ml Public
Forked from JosieHong/awesome-smallmol-massspec-mlAwesome papers and codes list of analytical chemistry-related deep learning methods
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DeepEI Public
Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
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awesome-free-chatgpt Public
Forked from LiLittleCat/awesome-free-chatgpt🆓免费的 ChatGPT 镜像网站列表，持续更新。List of free ChatGPT mirror sites, continuously updated.
Python MIT License UpdatedMar 19, 2024 -
GNN-RT Public
Forked from Qiong-Yang/GNN-RTPython GNU Affero General Public License v3.0 UpdatedFeb 17, 2024 -
ms2deepscore Public
Forked from matchms/ms2deepscoreDeep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
Jupyter Notebook Apache License 2.0 UpdatedNov 13, 2023 -
msbuddy Public
Forked from Philipbear/msbuddyPython API & CLI for molecular formula analysis in MS-based small molecule studies
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SimCSE Public
Forked from princeton-nlp/SimCSE[EMNLP 2021] SimCSE: Simple Contrastive Learning of Sentence Embeddings https://arxiv.org/abs/2104.08821
Python MIT License UpdatedSep 22, 2023
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