Related Issues (20)
- 🐛 [BUG] Tutorial example runs infinitely HOT 3
- 🐛 [BUG] lammps/build/lmp: No such file (tutorial) HOT 3
- wrong ValueError text HOT 1
- 🐛 [BUG] NotADirectoryError when attempting to run git HOT 2
- ❓ [QUESTION] CIF files & other target properties HOT 1
- ❓ [QUESTION] Newton pair when running lammps HOT 2
- 🌟 [FEATURE] OpenMM HOT 46
- Nequip memory requirements ❓ [QUESTION] HOT 10
- 🌟 [FEATURE] Support for newer PyTorch HOT 1
- ❓ [QUESTION] Sweeping hyperparemeters with Weights and Biases HOT 2
- 🌟 [FEATURE] Masking out some labels (e.g. constrained atoms) HOT 2
- 🐛 [BUG] Does not work with RTX 4080 GPU HOT 6
- RuntimeError when using nequip-evaluate HOT 2
- Reduce LR on plateau but not increase HOT 8
- 🐛 [BUG] NequIP running problem on A100 machine HOT 5
- 🐛 [BUG] Batchsize Problem in PerAtomMSELoss HOT 4
- The difference between two validation metrics in file log❓ [QUESTION] HOT 1
- ❓ [QUESTION] Colab tutorial HOT 1
- ❓ [QUESTION] Restart run HOT 1
- issue when using nequip-deploy 🐛 [BUG] HOT 9
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