experimental-data
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.