All software
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)
Cheetah
Fast and differentiable particle accelerator optics simulation for reinforcement learning and optimisation applications.
- Automatic Differentiation
- Differentiable Programming
- Differentiable Simulation
- + 7
- Python
calibr8
calibr8 is a Python toolbox for likelihood-based calibration modeling and Bayesian inference. It supports uni- and multivariate problems, continuous & discrete distributions and includes ready to use models for many non-linear problems. It integrates with PyMC for advanced Bayesian inference.
- Calibration
- Data analysis
- Earth & Environment
- + 4
- Python
LinkAhead
Open Source Research Data Management Software
- Data
- Electronic Lab Notebook
- ETL
- + 9
- (ANTLR)
- (C++)
- (CSS)
- + 9
TetraX
TetraX is a package for finite-element-method (FEM) micromagnetic modeling with the aim of providing user-friendly and versatile micromagnetic workflows. Among other features, it allows to efficiently calculate spin-wave spectra in different magnetic systems of general geometries.
- finite-element-method
- magnetization dynamics
- micromagnetic modeling
- + 4
- Python
- C
- Cython
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)
perun
perun is a Python package that calculates the energy consumption of Python scripts by sampling usage statistics from hardware interfaces. It can handle MPI applications, gather data from hundreds of nodes, and accumulate it efficiently.
- Earth & Environment
- Energy
- FAIR Software
- + 2
- Python
ARTIST
AI-enhanced differentiable Ray Tracer for Irradiation Prediction in Solar Tower Digital Twins
- Concentrated Solar Energy
- Differentiable Ray Tracing
- digital twin
- + 5
- Python
- TeX
LaPy
LaPy is an open-source Python package for differential geometry on triangle and tetrahedra meshes. It includes an FEM solver to estimate the Laplace, Poisson or Heat equations, also the computations of gradients, divergence, mean-curvature flow, conformal mappings, geodesics, ShapeDNA and more.
- computational geometry
- FEM
- Laplace
- + 4
- Python
Radiative forcing of hypersonic aircraft trajectories
The software quantifies climate impact of hypersonic aircraft trajectories as a number and within seconds instead of very long numerical simulations that produce Petabytes of data. The input requires water vapor, hydrogen and nitrogen oxide emission data along flight trajectories.
- airclim
- aircraft
- atmosphere
- + 10
- Jupyter Notebook
- Python
SLEPLET
SLEPLET is a Python package for the construction of Slepian wavelets in the spherical and manifold (via meshes) settings.
- manifolds
- python
- slepian functions
- + 2
- (Python)
- (TeX)
FAME_AMR_model
Data and code underlying Chapter 3 of the PhD thesis "Advanced Magnetocaloric Regenerators for Heat Pump Applications"
- layered AMR
- layering strategies
- magnetocaloric heat pump
- + 5
- (Other)
- (Python)