Network_Tools: Network Node Interpolation - Githubissues

OpenFreeEnergy / konnektor

Algorithms for various Network Layouts and Tooling for planning FE Calculations

https://konnektor.readthedocs.io/

MIT License

14 stars 3 forks source link

Network_Tools: Network Node Interpolation #48

Closed RiesBen closed 2 months ago

RiesBen commented 6 months ago

Thoughts:

Use Scaffold Network Class from RDkit.
what can we do about 3D?