Related Issues (20)
- ❓ [QUESTION]Finetuning Validation Error Higher than Pre-training Error in Nequip HOT 1
- Confusion about `num_frames` attribute in `HDF5Dataset` HOT 1
- ❓ [QUESTION]how can I use the ase calculator for testing ?
- What is the unit of virials❓ [QUESTION] HOT 3
- MLFF for Silicon HOT 1
- minimal extxyz HOT 2
- ❓ [QUESTION] cannot repeat the RMSE of water dataset
- 🌟 [FEATURE] Custom properties HOT 1
- 🐛 [BUG] Using initialize_from_state HOT 3
- Default Units in the outputs of training HOT 1
- 🐛 [BUG] `InvalidVersion` in v0.6.0 HOT 3
- 🐛 [BUG] Colab link broken HOT 1
- [Duplicate BUG] Google Colab link isn't accessible HOT 3
- New installation will not run- "Failed to build object with prefix `dataset` using builder `NpzDataset`"🐛 [BUG] HOT 4
- Multiple Training / Validation Datasets🌟 [FEATURE] HOT 3
- Add GitHub CITATION files HOT 1
- Error with nequip-evaluate❓ [QUESTION] HOT 3
- 🐛 [BUG] 'RunningStats' has no attribute 'get_state'. Did you mean: '_state' ? in both Metrics.gather() and LossStats.gather() HOT 1
- Assertion Error on Nequip-evaluate: inconsistant with the value derived from the simple irreps options❓ [QUESTION]
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