Add Tensornet2 architecture

[sef43]

• adds the new tensornet2 architecture for the aceff-2.0 pre-trained model.

• the key addition is Aimnet2 style neutral charge equilibration and a coulomb interaction.

• This PR adds the tensonet2 model and a new output model that does a coulomb interaction using the predicted charges.

Note that the parent branch is #373

[sef43]

It also includes some Tensornet optimizations first attempted in this PR: #320
which reduce memory by ~30% and increase speed by ~30%, where possible:

• I is kept as a scalar with shape [...,F]
• A is kept as a vector with shape [...,F,3]
• S is still a tensor with shape [...,F,3,3]

where F is the embedding dimension and the leading dim is the number of nodes or number of edges.

[peastman]

I see you merged this just after creating the 2.5 release. How soon will there be a release that can support AceFF-2.0?

[stefdoerr]

The plan is to release it this week, I just want to take a look at the PR with the examples on Wednesday Στις Δευ 5 Ιαν 2026, 21:10 ο χρήστης Peter Eastman ***@***.***> έγραψε:

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*peastman* left a comment (torchmd/torchmd-net#375) <#375 (comment)> I see you merged this just after creating the 2.5 release. How soon will there be a release that can support AceFF-2.0? — Reply to this email directly, view it on GitHub <#375 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AB4RLAROV7BZCBRLXEVORF34FKZIZAVCNFSM6AAAAACQJS27WKVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZTOMJRG42DENBRG4> . You are receiving this because you modified the open/close state.Message ID: ***@***.***>

[giadefa]

The paper Is out, so release It, then we will do more updates. Last time it took a month to release the paper in the archive, this time 1 day. G

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On Mon, 5 Jan 2026, 21:25 Stefan Doerr, ***@***.***> wrote: *stefdoerr* left a comment (torchmd/torchmd-net#375) <#375 (comment)> The plan is to release it this week, I just want to take a look at the PR with the examples on Wednesday Στις Δευ 5 Ιαν 2026, 21:10 ο χρήστης Peter Eastman ***@***.***> έγραψε: > *peastman* left a comment (torchmd/torchmd-net#375) > <#375 (comment)> > > I see you merged this just after creating the 2.5 release. How soon will > there be a release that can support AceFF-2.0? > > — > Reply to this email directly, view it on GitHub > <#375 (comment)>, > or unsubscribe > < https://github.com/notifications/unsubscribe-auth/AB4RLAROV7BZCBRLXEVORF34FKZIZAVCNFSM6AAAAACQJS27WKVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZTOMJRG42DENBRG4> > . > You are receiving this because you modified the open/close state.Message > ID: ***@***.***> > — Reply to this email directly, view it on GitHub <#375 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AB3KUOQEJTBGWRZRE5SPTQ34FLCDPAVCNFSM6AAAAACQJS27WKVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZTOMJRHE3DQNZUHE> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[stefdoerr]

Done, release building right now as 2.6.0. Should be available in 30ish minutes