datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
foundation-model-data-experimentalsfm-experimental-data
Spectral Properties Dataset
Molecular spectra paired with computed structural properties relevant to each spectral type.
Subsets
cnmr: 13C NMR spectra with carbon environment properties
hnmr: 1H NMR spectra with hydrogen environment properties
ir: IR spectra with functional group properties
uv: UV-Vis spectra with chromophore/conjugation properties
ms: Mass spectra with fragmentation-relevant properties
Column Standardization
All subsets use… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/sfm-experimental-data.experimental_obligation_datasetTeacher-Autonomy-Support-Experimental-Project-Datasetarabic_dialects_dataset_experimentalpolymer-dynamics_experimental-data
Descriptions
Converting script
import pickle
from pathlib import Path
import numpy as np
from datasets import Dataset
DATA_DIR = Path("/path/to/cached/hugging_face/datasets/for/MLDS-NUS/Experimental_Images")
# should end with something like "snapshots/fd299418e9435f8fd98956a3f0a7344d208cc142"
def calc_left_right(data: np.ndarray):
left_rights = []
for im in data:
nonzero_columns = (im != 0).any(axis=-2)
left = nonzero_columns.argmax() if… See the full description on the dataset page: https://huggingface.co/datasets/MLDS-NUS/polymer-dynamics_experimental-data.LiTEN-FF-Experimental-Dataset-Structure
📁 LiTEN-FF EXP: Experimental Dataset Structure
The LiTEN-FF EXP directory contains the raw experimental data and simulation inputs used for validating the LiTEN-FF model across multiple molecular systems and tasks.
LiTEN-EXP/
│
├── ala2_free_energy/
├── ala3/
├── ala4_enhance_sampling/
├── ala5/
├── conf_opt/
├── conf_search/
├── geometric_cal/
├── H2O/
└── TorsionNet206/
Folder Descriptions
ala2_free_energy — Raw data and scripts for free energy calculations of… See the full description on the dataset page: https://huggingface.co/datasets/lingcon/LiTEN-FF-Experimental-Dataset-Structure.experimental-datapolymer-dynamics_experimental-data
Descriptions
Converting script
import pickle
from pathlib import Path
import numpy as np
from datasets import Dataset
DATA_DIR = Path("/path/to/cached/hugging_face/datasets/for/MLDS-NUS/Experimental_Images")
# should end with something like "snapshots/fd299418e9435f8fd98956a3f0a7344d208cc142"
def calc_left_right(data: np.ndarray):
left_rights = []
for im in data:
nonzero_columns = (im != 0).any(axis=-2)
left = nonzero_columns.argmax() if… See the full description on the dataset page: https://huggingface.co/datasets/introvoyz041/polymer-dynamics_experimental-data.experimental-ahh-opencai-datasetsparql-dataset-era-experimental-altmodelsQwen_Experimental_Databasic_dataset_for_01_no_11_raw_experimentalExperimental-caption-dataexperimental_datasetexperimental-api-dataExperimental_dataset_for_TW-LLM