Datasetpublic

aixsim/Titan25

Titan25 Titan25 is an MLIP dataset constructed with GAIA. It comprises 1.8M data points across 11 elements (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru), which supports the development of MLIPs that robustly capture general chemical reactions, including interfacial processes. To accelerate MLIP training, we recommend converting .extxyz files to .lmdb or similar formats. GAIA paper includes full details on the construction of the dataset the evaluation results on the dataset We also… See the full description on the dataset page: https://huggingface.co/datasets/aixsim/Titan25.

sourceHugging Facecc-by-4.0updated 11mo agoView on Hugging Face

3likes317downloads

root.gitattributes

.gitattributes83 linesDownload Raw Back to root

1*.7z filter=lfs diff=lfs merge=lfs -text2*.arrow filter=lfs diff=lfs merge=lfs -text3*.bin filter=lfs diff=lfs merge=lfs -text4*.bz2 filter=lfs diff=lfs merge=lfs -text5*.ckpt filter=lfs diff=lfs merge=lfs -text6*.ftz filter=lfs diff=lfs merge=lfs -text7*.gz filter=lfs diff=lfs merge=lfs -text8*.h5 filter=lfs diff=lfs merge=lfs -text9*.joblib filter=lfs diff=lfs merge=lfs -text10*.lfs.* filter=lfs diff=lfs merge=lfs -text11*.lz4 filter=lfs diff=lfs merge=lfs -text12*.mds filter=lfs diff=lfs merge=lfs -text13*.mlmodel filter=lfs diff=lfs merge=lfs -text14*.model filter=lfs diff=lfs merge=lfs -text15*.msgpack filter=lfs diff=lfs merge=lfs -text16*.npy filter=lfs diff=lfs merge=lfs -text17*.npz filter=lfs diff=lfs merge=lfs -text18*.onnx filter=lfs diff=lfs merge=lfs -text19*.ot filter=lfs diff=lfs merge=lfs -text20*.parquet filter=lfs diff=lfs merge=lfs -text21*.pb filter=lfs diff=lfs merge=lfs -text22*.pickle filter=lfs diff=lfs merge=lfs -text23*.pkl filter=lfs diff=lfs merge=lfs -text24*.pt filter=lfs diff=lfs merge=lfs -text25*.pth filter=lfs diff=lfs merge=lfs -text26*.rar filter=lfs diff=lfs merge=lfs -text27*.safetensors filter=lfs diff=lfs merge=lfs -text28saved_model/**/* filter=lfs diff=lfs merge=lfs -text29*.tar.* filter=lfs diff=lfs merge=lfs -text30*.tar filter=lfs diff=lfs merge=lfs -text31*.tflite filter=lfs diff=lfs merge=lfs -text32*.tgz filter=lfs diff=lfs merge=lfs -text33*.wasm filter=lfs diff=lfs merge=lfs -text34*.xz filter=lfs diff=lfs merge=lfs -text35*.zip filter=lfs diff=lfs merge=lfs -text36*.zst filter=lfs diff=lfs merge=lfs -text37*tfevents* filter=lfs diff=lfs merge=lfs -text38# Audio files - uncompressed39*.pcm filter=lfs diff=lfs merge=lfs -text40*.sam filter=lfs diff=lfs merge=lfs -text41*.raw filter=lfs diff=lfs merge=lfs -text42# Audio files - compressed43*.aac filter=lfs diff=lfs merge=lfs -text44*.flac filter=lfs diff=lfs merge=lfs -text45*.mp3 filter=lfs diff=lfs merge=lfs -text46*.ogg filter=lfs diff=lfs merge=lfs -text47*.wav filter=lfs diff=lfs merge=lfs -text48# Image files - uncompressed49*.bmp filter=lfs diff=lfs merge=lfs -text50*.gif filter=lfs diff=lfs merge=lfs -text51*.png filter=lfs diff=lfs merge=lfs -text52*.tiff filter=lfs diff=lfs merge=lfs -text53# Image files - compressed54*.jpg filter=lfs diff=lfs merge=lfs -text55*.jpeg filter=lfs diff=lfs merge=lfs -text56*.webp filter=lfs diff=lfs merge=lfs -text57# Video files - compressed58*.mp4 filter=lfs diff=lfs merge=lfs -text59*.webm filter=lfs diff=lfs merge=lfs -text60adatom/test.extxyz filter=lfs diff=lfs merge=lfs -text61adatom/train.extxyz filter=lfs diff=lfs merge=lfs -text62adatom/valid.extxyz filter=lfs diff=lfs merge=lfs -text63admol/test.extxyz filter=lfs diff=lfs merge=lfs -text64admol/train.extxyz filter=lfs diff=lfs merge=lfs -text65admol/valid.extxyz filter=lfs diff=lfs merge=lfs -text66bulk/test.extxyz filter=lfs diff=lfs merge=lfs -text67bulk/train.extxyz filter=lfs diff=lfs merge=lfs -text68bulk/valid.extxyz filter=lfs diff=lfs merge=lfs -text69slab/test.extxyz filter=lfs diff=lfs merge=lfs -text70slab/train.extxyz filter=lfs diff=lfs merge=lfs -text71slab/valid.extxyz filter=lfs diff=lfs merge=lfs -text72checkerboard/test.extxyz filter=lfs diff=lfs merge=lfs -text73checkerboard/train.extxyz filter=lfs diff=lfs merge=lfs -text74checkerboard/valid.extxyz filter=lfs diff=lfs merge=lfs -text75exploratory-neb-imp/train.extxyz filter=lfs diff=lfs merge=lfs -text76exploratory-aimds-imp/train.extxyz filter=lfs diff=lfs merge=lfs -text77exploratory-neb-gen/test.extxyz filter=lfs diff=lfs merge=lfs -text78exploratory-neb-gen/train.extxyz filter=lfs diff=lfs merge=lfs -text79exploratory-neb-gen/valid.extxyz filter=lfs diff=lfs merge=lfs -text80exploratory-aimds-gen/test.extxyz filter=lfs diff=lfs merge=lfs -text81exploratory-aimds-gen/train.extxyz filter=lfs diff=lfs merge=lfs -text82exploratory-aimds-gen/valid.extxyz filter=lfs diff=lfs merge=lfs -text83