Irfan Alibay

@couteiral Restarts are something the OpenFE team is looking at. Unfortunately the solution is a lot more complicated than this. Part of the issue is that "hash generation" isn't a...

@couteiral the offer is appreciated and I will need to check in with the team. I do suspect that we might have to say "no for now", this will need...

> IMHO this should get a news entry since this change _could_ cause a system to go from working to not working. Agreed - this is more of a proof...

100% support this - whislt we should completely overhaul gather, in the very short term offering the option to read in a gz would be a simple QoL improvement.

The way I understand this, there are two questions being asked here: 1. Should networks have multiple edges going between two nodes? 2. Should the output of `generate_minimal_redundant_network` creating networks...

> For question 2 we could add a unique flag to the method which collapses multiple mappings between two nodes down to the single best-scoring one, this makes sense in...

@JenkeScheen - if you want to add the option to remove duplicate edges to the existing openfe `generate_minimal_redundant_network`, I would welcome the PR. @RiesBen will likely fix this later in...

Hi @freeenergylab - thanks for opening this. Apologies for the slow reply, we have mostly been out of office, we'll get back to you as soon as we can.

Hi @freeenergylab - just letting you know what we're not ignoring you. I'm OOO today and will get back to you on softcore electrostatics early next week. The other question...

Hi @freeenergylab So for now I'll stick to answering your second question, i.e. "why have we not implemented electrostatic sofcore scaling". There's a lot of detail here so I'll offer...