Related Issues (20)
- issue when using nequip-deploy π [BUG] HOT 9
- π [BUG] Cannot restart run with different dataset HOT 4
- Is it possible to train on xyz format data with multiple moleculesβ [QUESTION] HOT 2
- run works on colab but fails on spyderβ [QUESTION] HOT 4
- β [QUESTION] Custom layer with control structure not supported? HOT 1
- The use of nequip command HOT 1
- π [BUG] Cannot run nequip-train with provided example HOT 4
- π [FEATURE]How to Train and Validate on Separate Datasets HOT 2
- How to do custom EarlyStopping?β [QUESTION] HOT 4
- β [QUESTION]
- β [QUESTION] About the data class AtomicData HOT 3
- bugs with "initialize_from_state"π [BUG] HOT 5
- how to choose nosehoover the value of nvt_qβ [QUESTION]
- β [QUESTION]Finetuning Validation Error Higher than Pre-training Error in Nequip
- Confusion about `num_frames` attribute in `HDF5Dataset` HOT 1
- β [QUESTION]how can I use the ase calculator for testing ?
- What is the unit of virialsβ [QUESTION] HOT 3
- MLFF for Silicon
- minimal extxyz
- β [QUESTION] cannot repeat the RMSE of water dataset
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from nequip.