Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by jakublala
A curated list of projects in awesome lists by jakublala .
https://github.com/jakublala/smoltalk-legacy
Natural language interface with 3dmol web app
Last synced: 27 Oct 2024
https://github.com/jakublala/alchemical-kernels
Pytorch implementation of Alchemical Kernels from Phys. Chem. Chem. Phys., 2018,20, 29661-29668
alchemical-kernel elpasolite energy-prediction kernel-ridge-regression rascaline soap
Last synced: 30 Nov 2024
https://github.com/jakublala/md-neural-ode
First two problems of my Master's Thesis on Coarse-Graining of Molecular Dynamics with Neural Ordinary Differential Equations
deep-learning machine-learning molecular-dynamics neural-ode toy-problems
Last synced: 30 Nov 2024
https://github.com/jakublala/coarsegrained-md-neural-ode
Thesis repository on neural ordinary differential equations used for coarse-graining molecular dynamics
coarse-grained-molecular-dynamics differential-equations molecular-dynamics neural-ode scientific-machine-learning thesis toy-problem
Last synced: 30 Nov 2024