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88 software items. Page 1 of 8. 12 items per page. 1 filters active.
1-12 of 88

spec2vec

spec2vec is a novel similarity measure for comparing mass spectrometry data, which learns peak representations using Word2Vec.

  • Machine learning
  • Text analysis & natural language processing
  • Batchfile
  • Makefile
  • Python
10
271

NNPDF

Fitting proton substructure to observation data using neural networks

  • Machine learning
  • PDF
  • C
  • CSS
  • HTML
  • + 5
7
205

DeepRank GNN

DeepRank-GNN is the graph neural network of our DeepRank package. DeepRank GNN allows to train graph neural networks to classify protein-protein interface

  • Machine learning
  • Protein-Protein Interaction
  • Python
2
202

DeepRank

Deep learning framework for data mining protein-protein interactions using CNN

  • Big data
  • Machine learning
  • Optimized data handling
  • C
  • Makefile
  • Python
  • + 2
8
129

GrainLearning

Unsure about the parameters of your grains in a computer simulation? Use Iterative Bayesian Filtering to learn parameter distributions from limited data. Is your model running slowly? Speed up your simulations with machine-learning surrogates. All these features are integrated within GrainLearning.

  • Bayesian Inference
  • Data assimilation
  • Machine learning
  • + 2
  • Jupyter Notebook
  • PureBasic
  • Python
  • + 1
3
120

iScore

A framework and predictor based on support vector machine and random walk graph kernel for scoring protein-protein interfaces.

  • Big data
  • Machine learning
  • Protein-Protein Interaction
  • C++
  • Cuda
  • Makefile
  • + 1
4
89

GSA report

GSAreport is an application to easily generate reports that describe the global sensitivities of your input parameters as best as possible. You can use the reporting application to inspect which features are important for a given real world function / simulator or model.

  • Explainable AI
  • Machine learning
  • python
  • + 1
  • CSS
  • HTML
  • Jupyter Notebook
  • + 1
2
61

mcfly

Helps you find a suitable neural network configuration for deep learning on time series.

  • auto-ml
  • deep learning
  • Machine learning
  • + 1
  • CSS
  • HTML
  • JavaScript
  • + 1
12
60

InstaNovo

InstaNovo is a transformer neural network with the ability to translate fragment ion peaks into the sequence of amino acids that make up the studied peptide(s). InstaNovo+ is a multinomial diffusion model that further improves performance by iterative refinement of predicted sequences.

  • deep learning
  • Machine learning
  • mass spectrometry
  • + 1
  • Makefile
  • Python
5
42

finite-strain-inverse-designed-spinodoids

Data and Code underlying publication: Experiment-informed finite-strain inverse design of spinodal metamaterials

  • In situ characterization
  • Inverse design
  • Machine learning
  • + 2
  • Matlab
  • Other
  • Python
5
34

Code underlying the publication: Forecasting estuarine salt intrusion in the Rhine-Meuse delta using an LSTM model

Code underlying the publication: Forecasting estuarine salt intrusion in the Rhine-Meuse delta using an LSTM model

  • chloride
  • Delta
  • estuary
  • + 7
4
26

DoE2Vec

DoE2Vec is a self-supervised approach to learn exploratory landscape analysis features from design of experiments. The model can be used for downstream meta-learning tasks such as learninig which optimizer works best on a given optimization landscape.

  • Machine learning
  • optimization
  • python
  • Makefile
  • Python
  • R
1
26