Comments (4)
mshuaibii
commented on September 5, 2024
Were you prompted with any error message? I ran your exact code + dataset on my end and it was created just fine.
from ocp.
mshuaibii
commented on September 5, 2024
Okay I was able to reproduce this issue on my end if I switched to an environment with PyG2.0 like you have. The quick fix I would recommend is using an earlier version of PyG, specifically: https://github.com/Open-Catalyst-Project/ocp/blob/fc000a2458a0d9994ec3eb4f36000a795f0b0b35/env.common.yml#L24 is what I had in the environment that worked. We are in the process of supporting the latest version of PyG, we have tested it for model training but thanks for flagging this as far as creating LMDBs...we can dig into it and hopefully have a fix in the near future. In the meantime I hope this addresses your issue.
from ocp.
KruskalLin
commented on September 5, 2024
I solved the version problem by extracting the data to dictionaries and then feeding them to new data in PyG2. It's a time-consuming but feasible way.
from ocp.
ThorrenKirschbaum
commented on September 5, 2024
Thank you so much for your fast responses! Downgrading to torch-geometric==1.7.2 solved the issue.
from ocp.
Related Issues (20)
- Skipping scheduler for EquiformerV2 with OC22 HOT 6
- Nan loss in Equiformer_v2 HOT 4
- Adsorption energy for OC20 mapping HOT 2
- Problem When Submitting Result Files HOT 4
- TypeError: a bytes-like object is required, not 'NoneType'
- scale file paths need to be updated for monorepo organization HOT 1
- Having troubles installing fairchem.core. when running"pip install packages/farichem-core" I get an error. HOT 8
- assert isinstance( ^^^^^^^^^^^ AssertionError when run ocptrainer.predict(ocptrainer.test_loader)
- Does ODAC use the same VASP settings as OC20? HOT 2
- How to get the totale system energy of a "fairchem.data.oc.core.Slab" or "fairchem.data.oc.core.Adsorbate" HOT 2
- The use of pre-trained JMP models HOT 1
- Rename OCPCalculator to FAIRChemCalculator or similar HOT 1
- `OCPCalculator` not compatible with ocp 2.0 format configs HOT 4
- Errors with ODAC23 EquiformerV2 models HOT 5
- Numpy 2.0 breaks installation HOT 1
- How to add a new model to fair-chem HOT 2
- Memory leak for s2ef tasks with otf_graph=True? HOT 6
- Fine-tuning tutorial would be a great place to show-case the new linear reference configs HOT 1
- Run-relaxations from LMDB / ASE databases HOT 3
- NEB notebook broken
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from ocp.