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Interspecific collaboration: stereo calibration and 3D Habitat reconstruction/Tracking

Diffraction calculation of laser beams and numerical integration of Optical Bloch Equations using these laser fields, used to estimate various shifts in hydrogen spectroscopy caused by beam profile imperfections

Semester project for Max Planck institute autumn 2021

simulate cluster SB profiles

Example of machine learning for Hirshfeld ratios.

Attached to book chapter in Handbook of Materials Modeling

For 'Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening' data and code summary

This is a fork of the ALCHEMIC astrochemical modelling code (Semenov et al. 2010). The code is adapted to model the chemical evolution of SPH trajectories from hydrodynamic molecular cloud simulations, using complex chemical networks.

This repository contains the Python code used in the publication 'Bayesian decomposition of the Galactic multi-frequency sky using probabilistic autoencoders' by Milosevic et al., 2020.

A tool for performing many 3D FFTs on large three-dimensional stacks of images using CPUs (and GPUs).

IDPs/IDRs grown via hierarchical assembly of dimer fragments. Beta version of a HCG web application via Binder.

This repository is a binder repo for a collaborative usable setup for jupyterlab and pyiron environment for creating a class.