Upload dataset
Browse files- README.md +101 -0
- data/train-00000-of-00001.parquet +3 -0
README.md
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| 1 |
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---
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| 2 |
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dataset_info:
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features:
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| 4 |
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- name: experiment_id
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dtype: string
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| 6 |
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- name: antibody_name
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dtype: string
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| 8 |
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- name: timestamp
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| 9 |
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dtype: string
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| 10 |
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- name: heavy_chain
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| 11 |
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dtype: string
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| 12 |
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- name: light_chain
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| 13 |
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dtype: string
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| 14 |
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- name: tagg
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dtype: float32
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| 16 |
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- name: tm
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| 17 |
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dtype: float32
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| 18 |
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- name: tmon
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| 19 |
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dtype: float32
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| 20 |
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- name: job_id
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| 21 |
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dtype: string
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| 22 |
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- name: status
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| 23 |
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dtype: string
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| 24 |
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- name: duration_seconds
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dtype: float32
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| 26 |
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- name: config_hash
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dtype: string
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- name: error_message
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| 29 |
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dtype: string
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| 30 |
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- name: description
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| 31 |
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dtype: string
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| 32 |
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- name: temperatures
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| 33 |
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dtype: string
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| 34 |
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- name: simulation_time
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| 35 |
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dtype: float32
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| 36 |
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- name: force_field
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| 37 |
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dtype: string
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| 38 |
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- name: water_model
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dtype: string
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| 40 |
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- name: salt_concentration
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dtype: float32
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| 42 |
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- name: pH
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dtype: float32
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- name: p_salt
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| 45 |
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dtype: string
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| 46 |
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- name: n_salt
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dtype: string
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| 48 |
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- name: equilibration_time
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| 49 |
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dtype: float32
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| 50 |
+
- name: block_length
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| 51 |
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dtype: string
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| 52 |
+
- name: core_surface_k
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| 53 |
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dtype: float32
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| 54 |
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- name: compute_lambda
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| 55 |
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dtype: bool
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| 56 |
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- name: use_dummy_s2
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| 57 |
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dtype: bool
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| 58 |
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- name: cleanup_temp
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| 59 |
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dtype: bool
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| 60 |
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- name: cleanup_after
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| 61 |
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dtype: string
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| 62 |
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- name: delete_order_params
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| 63 |
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dtype: bool
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| 64 |
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- name: save_trajectories
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| 65 |
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dtype: bool
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| 66 |
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- name: gpu_enabled
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| 67 |
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dtype: bool
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| 68 |
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- name: gpu_id
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| 69 |
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dtype: float32
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| 70 |
+
- name: n_threads
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| 71 |
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dtype: float32
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| 72 |
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- name: gyr_cdrs_Rg_std_350
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| 73 |
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dtype: float32
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| 74 |
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- name: bonds_contacts_std_350
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| 75 |
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dtype: float32
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| 76 |
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- name: rmsf_cdrl1_std_350
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| 77 |
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dtype: float32
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| 78 |
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- name: rmsf_cdrs_mu_400
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| 79 |
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dtype: float32
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| 80 |
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- name: gyr_cdrs_Rg_std_400
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| 81 |
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dtype: float32
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| 82 |
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- name: all-temp_lamda_b=25_eq=20
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| 83 |
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dtype: float32
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| 84 |
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- name: all-temp-sasa_core_mean_k=20_eq=20
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| 85 |
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dtype: float32
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| 86 |
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- name: all-temp-sasa_core_std_k=20_eq=20
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| 87 |
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dtype: float32
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| 88 |
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- name: r-lamda_b=2.5_eq=20
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| 89 |
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dtype: float32
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splits:
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- name: train
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| 92 |
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num_bytes: 0
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| 93 |
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num_examples: 0
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| 94 |
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download_size: 10196
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| 95 |
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dataset_size: 0
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configs:
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| 97 |
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- config_name: default
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| 98 |
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data_files:
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| 99 |
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- split: train
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| 100 |
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path: data/train-*
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| 101 |
+
---
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data/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
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| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:7908e94d5cfc402c77439f4f6e69fd191dde2bca6df4a3d5606d119a7cb2f4d5
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| 3 |
+
size 10196
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