Alternatives and similar repositories for GCN-retention-time-predictions

Users that are interested in GCN-retention-time-predictions are comparing it to the libraries listed below

• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆28Updated 4 years ago
• skinnider / low-data-generative-models
  ☆20Updated 4 years ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆23Updated 2 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated 3 months ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆31Updated 2 years ago
• pnnl / darkchem
  ☆33Updated last year
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆28Updated 3 years ago
• zhang-xuan1314 / MTL-BERT
  ☆23Updated 3 years ago
• XiminHu / mass-suite
  ☆29Updated last year
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆70Updated last year
• zhanghailiangcsu / MSBERT
  Improve the accuracy of database search by using BERT to embed MS/MS reasonably
  ☆19Updated last year
• meowcat / MSNovelist
  ☆72Updated last year
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆23Updated 2 years ago
• ChengF-Lab / deepDTnet
  ☆32Updated 7 years ago
• MahaThafar / Drug-Target-Interaction-Prediciton-Method
  This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…
  ☆27Updated 4 years ago
• lkytal / PredFull
  This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network
  ☆34Updated 2 years ago
• hcji / PyCFMID
  This package is a python warpper for CFM-ID
  ☆13Updated 3 years ago
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆37Updated 3 years ago
• idslme / IDSL_MINT
  A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
  ☆27Updated last year
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆17Updated 5 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• volvox292 / mass2smiles
  deep learning based prediction of structures and functional groups from MS/MS spectra
  ☆11Updated 10 months ago
• mwang87 / NP-Classifier
  ☆27Updated 2 weeks ago
• jgmeyerucsd / drug-class
  comparing drug classification methods
  ☆22Updated 5 years ago
• mohimanilab / molDiscovery
  ☆15Updated 4 years ago
• Jhird / Deep-Learning-For-Drug-Protein-Interactions
  A Python implementation for training a neural network for predicting drug-protein interactions using Keras and Tensorflow
  ☆18Updated 7 years ago
• ratthachat / awesome-biochem-ai
  Curated list on Deep Transformers Applications on Biology and Chemistry
  ☆18Updated 2 years ago
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 5 years ago