Fixed paths for ani1ccx and ani1x

[shenoynikhil]

• Fixes incorrect paths for ANI1X and ANI1CCX.
• Still has issues to be fixed.

[mymhityx-cell]

PS D:\A_Coding\python\python学习> openqdc download Spice ANI1X
╭─────────────────────────────────────────────────────────────────────── Traceback (most recent call last) ────────────────────────────────────────────────────────────────────────╮
│ D:\A_Coding\python\python\python3128\Lib\site-packages\openqdc\cli.py:102 in download │
│ │
│ 99 │ │ │ if ds.is_cached() and not overwrite: ╭──────────── locals ────────────╮ │
│ 100 │ │ │ │ logger.info(f"{dataset} is already cached. Skipping download") │ as_zarr = False │ │
│ 101 │ │ │ else: │ cache_dir = None │ │
│ ❱ 102 │ │ │ │ SANITIZED_AVAILABLE_DATASETS[dataset]( │ dataset = 'spice' │ │
│ 103 │ │ │ │ │ overwrite_local_cache=True, cache_dir=cache_dir, read_as_zarr=as_zar │ datasets = ['Spice', 'ANI1X'] │ │
│ 104 │ │ │ │ ) │ ds = spice │ │
│ 105 │ gs = False │ │
│ │ overwrite = False │ │
│ ╰────────────────────────────────╯ │
│ │
│ D:\A_Coding\python\python\python3128\Lib\site-packages\openqdc\datasets\base.py:153 in init │
│ │
│ 150 │ │ self.refit_e0s = recompute_statistics or overwrite_local_cache │
│ 151 │ │ self.skip_statistics = skip_statistics │
│ 152 │ │ if not self.is_preprocessed(): │
│ ❱ 153 │ │ │ raise DatasetNotAvailableError(self.name) │
│ 154 │ │ else: │
│ 155 │ │ │ self.read_preprocess(overwrite_local_cache=overwrite_local_cache) │
│ 156 │ │ self.set_array_format(array_format) │
│ │
│ ╭────────────────────────────────────── locals ──────────────────────────────────────╮ │
│ │ array_format = 'numpy' │ │
│ │ cache_dir = None │ │
│ │ distance_unit = None │ │
│ │ energy_type = 'formation' │ │
│ │ energy_unit = None │ │
│ │ overwrite_local_cache = True │ │
│ │ read_as_zarr = False │ │
│ │ recompute_statistics = False │ │
│ │ regressor_kwargs = {'solver_type': 'linear', 'sub_sample': None, 'stride': 1} │ │
│ │ self = spice │ │
│ │ skip_statistics = True │ │
│ │ transform = None │ │
│ ╰────────────────────────────────────────────────────────────────────────────────────╯ │
╰──────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────╯
DatasetNotAvailableError: Dataset spice is not available. Please open an issue on Github for the team to look into it.
这个是咋回事啊博主