-
Hello,
I was wondering what the best way to programatically get the `StateObjectCell` or `StateTransform.Ref` for a given `Structure` (From 'mol-model') is?
I have retrieved the structure from f…
-
## Environment info
- `transformers` version: 4.17.0
- Platform: Linux-4.14.252-131.483.amzn1.x86_64-x86_64-with-glibc2.9
- Python version: 3.6.13
- PyTorch version (GPU?): 1.7.1 (True)
- Tensorf…
-
Hi,
So I am loading a PDB file sucessfully and want to try to recreate certain function packaged in the normal UI of Molstar myself by manipulating the PluginUIContext. For example, I want to explo…
-
- [x] " it cannot distinguish certain classes of molecules (e.g., cisplatin vs transplatin) and according to folk lore is more difficult to train a neural network with" This is not necessarily specifi…
-
##### Summary
Local `pip install` fails when trying to install from source or GH .zip, ` pip3 install ansible-lint` installs without issues.
##### Issue Type
- Bug Report
##### OS / ENVIRO…
-
Example: https://mila.quebec/en/publications/
It would be nice to reuse the same code as in the Mila website. Not sure if that's 'easily' possible via RTD
-
Hello! Thanks for creating this repo!
I was wondering, how does one load a pretrained model checkpoint so that one can then finetune it on a downstream task, e.g. NER?
Explaining further: Follo…
-
Dear authors,
I didn't see the code for transformer distill. Could you please tell me where you did it?
I looked into the code. Below is what I learned.
- `model/` containts the model definitio…
-
We are writing a paper about NNP/MM in ACEMD. So far, we have used ANI-2x for protein-ligand simulations, but to demonstrate a general utility, it would be good to include one more NNP.
Would it be…
-
**Submitting author:** @sgbaird (Sterling Baird)
**Repository:** https://github.com/sparks-baird/xtal2png
**Branch with paper.md** (empty if default branch): main
**Version:** 0.9.4
**Editor:** @rkurc…