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mir-group / nequip

NequIP is a code for building E(3)-equivariant interatomic potentials
https://www.nature.com/articles/s41467-022-29939-5
MIT License
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bugs with "initialize_from_state"🐛 [BUG] #390

Open wwwjjj123yyyy opened 7 months ago

wwwjjj123yyyy commented 7 months ago

When I want to statrt a new trainning with different settings from previous trainning model, I change some settings in my .yaml file and add something looks like the followings:

微信截图_20231202194630 But there is some error ： 微信截图_20231202194655 I don't know how to handdle it. Is there anybody who can serve some instructions?

Linux-cpp-lisp commented 7 months ago

What version are you using? This looks correct in the versions I'm looking at.

wwwjjj123yyyy commented 7 months ago

Pytorch: 1.11.10 python: 3.9.16 the nequip package is from https://github.com/mir-group/nequip the allegro exstension package is from https://github.com/Hongyu-yu/allegro

Linux-cpp-lisp commented 7 months ago

Maybe try the develop branch of nequip.

wwwjjj123yyyy commented 7 months ago

Maybe try the develop branch of nequip.

Where is the develop branch of nequip, please?

ligerzero-ai commented 7 months ago

https://github.com/mir-group/nequip/tree/develop

Clone this instead using 

git clone https://github.com/mir-group/nequip.git
cd nequip
git checkout develop
pip install .

and install using that folder. Make sure you're in a new environment, or remove nequip in your environment before you do this.