Tai Bui

Hi, I have tried to use the following for embedding. However, I got an error probably related to using the runtime = "edge" `const embeddings = new HuggingFaceTransformersEmbeddings({modelName: "Xenova/all-MiniLM-L6-v2"});` Here...

Can't access tutorial notebooks on Colab

7

Hi, It seems the links to 2 notebooks on Colab are not working: [FLARE (ACE descriptors + sparse GP) Python API](https://colab.research.google.com/drive/18_pTcWM19AUiksaRyCgg9BCpVyw744xv) and [FLARE (2+3-body + GP)](https://colab.research.google.com/drive/1Q2NCCQWYQdTW9-e35v1W-mBlWTiQ4zfT). Could you please double...

A descriptors list has been removed from RDKitDescriptors?

3

## ❓ Questions & Help Hi, I tried to create a predictive model using RDKitDescriptors and need access to the descriptor names. It seems the featurizer.descriptors had been removed in...

Improve the conversion performance of Interchange object to LAMMPS data file

1

**Description** It takes too long to write LAMMPS data file for a medium system size. I experienced this when I tried to convert a rather big system, with 174200 atoms,...

Add support for using customised packmol input file

5

**Description** Please describe the behavior you would like added to Interchange. Dear Dev team, Currently, the packmol features within Interchange or Evaluator enable the solvation and random placement of molecules...

Hi, I am testing offline training for two different dft.xyz files from two different systems (e.g., system1 with H2 only, system2 with Pt only). According to the tutorial, we need...

Outcome constraints

3

I am a bit new to BayBE and wondering if it supports outcome constraints similar to Ax. [https://ax.dev/docs/recipes/outcome-constraints](https://ax.dev/docs/recipes/outcome-constraints)