| Folder | Creator | Brief Description | |
|---|---|---|---|
| abacus2xyz | Benrui Tang | tang070205@proton.me | Get train.xyz from ABACUS outputs. |
| castep2exyz | Yanzhou Wang | yanzhowang@gmail.com | Get train.xyz from CASTEP outputs. |
| cp2k2xyz | Zherui Chen | chenzherui0124@foxmail.com | Get train.xyz from CP2K outputs or vice versa. |
| dp2xyz | Ke Xu | twtdq@qq.com | Convert DP training data to xyz format. |
| exyz2pdb | Zherui Chen | chenzherui0124@foxmail.com | Convert exyz to pdb. |
| gmx2exyz | Zherui Chen | chenzherui0124@foxmail.com | Convert the trr trajectory of gmx to the exyz trajectory. |
| mtp2xyz | Ke Xu | twtdq@qq.com | Convert MTP training data to xyz format. |
| orca2xyz | Zherui Chen | chenzherui0124@foxmail.com | Automatically process ORCA calculations and sample configurations. |
| runner2xyz | Ke Xu | twtdq@qq.com | Convert RUNNER training data to xyz format. |
| siesta2xyz | Zhang Su | 250061@hsu.edu.cn | Get train.xyz from SIESTA outputs. |
| vasp2xyz | Yanzhou Wang | yanzhowang@gmail.com | Get train.xyz from VASP outputs. |
| xtd2exyz | Zherui Chen | chenzherui0124@foxmail.com | Get train.xyz from Materials Studio outputs. |
| xyz2gro | Who? | Convert xyz file to gro file. |
Format_Conversion
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Format_Conversion
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
parent directory.. | ||||