CoolFace
Datasetpublic

Kingldore/lit-pcba-vs

LIT-PCBA Docked Poses (gnina virtual screening) The docked poses from lit-pcba_vs.tgz, produced by the Koes lab at the University of Pittsburgh for Virtual Screening with Gnina 1.0. The original is one large archive that must be read start to finish. Here it is split by target into lit-pcba-vs/, one archive per LIT-PCBA target, so you can download only the targets you need: hf download Kingldore/lit-pcba-vs lit-pcba-vs/FEN1.tar.gz --repo-type dataset tar -xzf… See the full description on the dataset page: https://huggingface.co/datasets/Kingldore/lit-pcba-vs.

sourceHugging Faceotherupdated 1mo agoView on Hugging Face
0likes116downloads
.gitattributes210 linesDownload Raw Back to root
1*.7z filter=lfs diff=lfs merge=lfs -text2*.arrow filter=lfs diff=lfs merge=lfs -text3*.avro filter=lfs diff=lfs merge=lfs -text4*.bin filter=lfs diff=lfs merge=lfs -text5*.bz2 filter=lfs diff=lfs merge=lfs -text6*.ckpt filter=lfs diff=lfs merge=lfs -text7*.ftz filter=lfs diff=lfs merge=lfs -text8*.gz filter=lfs diff=lfs merge=lfs -text9*.h5 filter=lfs diff=lfs merge=lfs -text10*.joblib filter=lfs diff=lfs merge=lfs -text11*.lfs.* filter=lfs diff=lfs merge=lfs -text12*.lz4 filter=lfs diff=lfs merge=lfs -text13*.mds filter=lfs diff=lfs merge=lfs -text14*.mlmodel filter=lfs diff=lfs merge=lfs -text15*.model filter=lfs diff=lfs merge=lfs -text16*.msgpack filter=lfs diff=lfs merge=lfs -text17*.npy filter=lfs diff=lfs merge=lfs -text18*.npz filter=lfs diff=lfs merge=lfs -text19*.onnx filter=lfs diff=lfs merge=lfs -text20*.ot filter=lfs diff=lfs merge=lfs -text21*.parquet filter=lfs diff=lfs merge=lfs -text22*.pb filter=lfs diff=lfs merge=lfs -text23*.pickle filter=lfs diff=lfs merge=lfs -text24*.pkl filter=lfs diff=lfs merge=lfs -text25*.pt filter=lfs diff=lfs merge=lfs -text26*.pth filter=lfs diff=lfs merge=lfs -text27*.rar filter=lfs diff=lfs merge=lfs -text28*.safetensors filter=lfs diff=lfs merge=lfs -text29saved_model/**/* filter=lfs diff=lfs merge=lfs -text30*.tar.* filter=lfs diff=lfs merge=lfs -text31*.tar filter=lfs diff=lfs merge=lfs -text32*.tflite filter=lfs diff=lfs merge=lfs -text33*.tgz filter=lfs diff=lfs merge=lfs -text34*.wasm filter=lfs diff=lfs merge=lfs -text35*.xz filter=lfs diff=lfs merge=lfs -text36*.zip filter=lfs diff=lfs merge=lfs -text37*.zst filter=lfs diff=lfs merge=lfs -text38*tfevents* filter=lfs diff=lfs merge=lfs -text39# Audio files - uncompressed40*.pcm filter=lfs diff=lfs merge=lfs -text41*.sam filter=lfs diff=lfs merge=lfs -text42*.raw filter=lfs diff=lfs merge=lfs -text43# Audio files - compressed44*.aac filter=lfs diff=lfs merge=lfs -text45*.flac filter=lfs diff=lfs merge=lfs -text46*.mp3 filter=lfs diff=lfs merge=lfs -text47*.ogg filter=lfs diff=lfs merge=lfs -text48*.wav filter=lfs diff=lfs merge=lfs -text49# Image files - uncompressed50*.bmp filter=lfs diff=lfs merge=lfs -text51*.gif filter=lfs diff=lfs merge=lfs -text52*.png filter=lfs diff=lfs merge=lfs -text53*.tiff filter=lfs diff=lfs merge=lfs -text54# Image files - compressed55*.jpg filter=lfs diff=lfs merge=lfs -text56*.jpeg filter=lfs diff=lfs merge=lfs -text57*.webp filter=lfs diff=lfs merge=lfs -text58# Video files - compressed59*.mp4 filter=lfs diff=lfs merge=lfs -text60*.webm filter=lfs diff=lfs merge=lfs -text61raw/lit-pcba_vs.tgz.part-0063 filter=lfs diff=lfs merge=lfs -text62raw/lit-pcba_vs.tgz.part-0059 filter=lfs diff=lfs merge=lfs -text63raw/lit-pcba_vs.tgz.part-0058 filter=lfs diff=lfs merge=lfs -text64raw/lit-pcba_vs.tgz.part-0061 filter=lfs diff=lfs merge=lfs -text65raw/lit-pcba_vs.tgz.part-0064 filter=lfs diff=lfs merge=lfs -text66raw/lit-pcba_vs.tgz.part-0066 filter=lfs diff=lfs merge=lfs -text67raw/lit-pcba_vs.tgz.part-0060 filter=lfs diff=lfs merge=lfs -text68raw/lit-pcba_vs.tgz.part-0065 filter=lfs diff=lfs merge=lfs -text69raw/lit-pcba_vs.tgz.part-0068 filter=lfs diff=lfs merge=lfs -text70raw/lit-pcba_vs.tgz.part-0074 filter=lfs diff=lfs merge=lfs -text71raw/lit-pcba_vs.tgz.part-0056 filter=lfs diff=lfs merge=lfs -text72raw/lit-pcba_vs.tgz.part-0077 filter=lfs diff=lfs merge=lfs -text73raw/lit-pcba_vs.tgz.part-0057 filter=lfs diff=lfs merge=lfs -text74raw/lit-pcba_vs.tgz.part-0082 filter=lfs diff=lfs merge=lfs -text75raw/lit-pcba_vs.tgz.part-0075 filter=lfs diff=lfs merge=lfs -text76raw/lit-pcba_vs.tgz.part-0080 filter=lfs diff=lfs merge=lfs -text77raw/lit-pcba_vs.tgz.part-0070 filter=lfs diff=lfs merge=lfs -text78raw/lit-pcba_vs.tgz.part-0062 filter=lfs diff=lfs merge=lfs -text79raw/lit-pcba_vs.tgz.part-0067 filter=lfs diff=lfs merge=lfs -text80raw/lit-pcba_vs.tgz.part-0069 filter=lfs diff=lfs merge=lfs -text81raw/lit-pcba_vs.tgz.part-0055 filter=lfs diff=lfs merge=lfs -text82raw/lit-pcba_vs.tgz.part-0084 filter=lfs diff=lfs merge=lfs -text83raw/lit-pcba_vs.tgz.part-0072 filter=lfs diff=lfs merge=lfs -text84raw/lit-pcba_vs.tgz.part-0090 filter=lfs diff=lfs merge=lfs -text85raw/lit-pcba_vs.tgz.part-0081 filter=lfs diff=lfs merge=lfs -text86raw/lit-pcba_vs.tgz.part-0079 filter=lfs diff=lfs merge=lfs -text87raw/lit-pcba_vs.tgz.part-0098 filter=lfs diff=lfs merge=lfs -text88raw/lit-pcba_vs.tgz.part-0086 filter=lfs diff=lfs merge=lfs -text89raw/lit-pcba_vs.tgz.part-0100 filter=lfs diff=lfs merge=lfs -text90raw/lit-pcba_vs.tgz.part-0093 filter=lfs diff=lfs merge=lfs -text91raw/lit-pcba_vs.tgz.part-0071 filter=lfs diff=lfs merge=lfs -text92raw/lit-pcba_vs.tgz.part-0076 filter=lfs diff=lfs merge=lfs -text93raw/lit-pcba_vs.tgz.part-0091 filter=lfs diff=lfs merge=lfs -text94raw/lit-pcba_vs.tgz.part-0073 filter=lfs diff=lfs merge=lfs -text95raw/lit-pcba_vs.tgz.part-0106 filter=lfs diff=lfs merge=lfs -text96raw/lit-pcba_vs.tgz.part-0083 filter=lfs diff=lfs merge=lfs -text97raw/lit-pcba_vs.tgz.part-0078 filter=lfs diff=lfs merge=lfs -text98raw/lit-pcba_vs.tgz.part-0096 filter=lfs diff=lfs merge=lfs -text99raw/lit-pcba_vs.tgz.part-0114 filter=lfs diff=lfs merge=lfs -text100raw/lit-pcba_vs.tgz.part-0116 filter=lfs diff=lfs merge=lfs -text101raw/lit-pcba_vs.tgz.part-0095 filter=lfs diff=lfs merge=lfs -text102raw/lit-pcba_vs.tgz.part-0107 filter=lfs diff=lfs merge=lfs -text103raw/lit-pcba_vs.tgz.part-0087 filter=lfs diff=lfs merge=lfs -text104raw/lit-pcba_vs.tgz.part-0102 filter=lfs diff=lfs merge=lfs -text105raw/lit-pcba_vs.tgz.part-0089 filter=lfs diff=lfs merge=lfs -text106raw/lit-pcba_vs.tgz.part-0088 filter=lfs diff=lfs merge=lfs -text107raw/lit-pcba_vs.tgz.part-0085 filter=lfs diff=lfs merge=lfs -text108raw/lit-pcba_vs.tgz.part-0099 filter=lfs diff=lfs merge=lfs -text109raw/lit-pcba_vs.tgz.part-0123 filter=lfs diff=lfs merge=lfs -text110raw/lit-pcba_vs.tgz.part-0109 filter=lfs diff=lfs merge=lfs -text111raw/lit-pcba_vs.tgz.part-0094 filter=lfs diff=lfs merge=lfs -text112raw/lit-pcba_vs.tgz.part-0132 filter=lfs diff=lfs merge=lfs -text113raw/lit-pcba_vs.tgz.part-0130 filter=lfs diff=lfs merge=lfs -text114raw/lit-pcba_vs.tgz.part-0097 filter=lfs diff=lfs merge=lfs -text115raw/lit-pcba_vs.tgz.part-0092 filter=lfs diff=lfs merge=lfs -text116raw/lit-pcba_vs.tgz.part-0111 filter=lfs diff=lfs merge=lfs -text117raw/lit-pcba_vs.tgz.part-0101 filter=lfs diff=lfs merge=lfs -text118raw/lit-pcba_vs.tgz.part-0122 filter=lfs diff=lfs merge=lfs -text119raw/lit-pcba_vs.tgz.part-0146 filter=lfs diff=lfs merge=lfs -text120raw/lit-pcba_vs.tgz.part-0115 filter=lfs diff=lfs merge=lfs -text121raw/lit-pcba_vs.tgz.part-0112 filter=lfs diff=lfs merge=lfs -text122raw/lit-pcba_vs.tgz.part-0104 filter=lfs diff=lfs merge=lfs -text123raw/lit-pcba_vs.tgz.part-0110 filter=lfs diff=lfs merge=lfs -text124raw/lit-pcba_vs.tgz.part-0148 filter=lfs diff=lfs merge=lfs -text125raw/lit-pcba_vs.tgz.part-0113 filter=lfs diff=lfs merge=lfs -text126raw/lit-pcba_vs.tgz.part-0117 filter=lfs diff=lfs merge=lfs -text127raw/lit-pcba_vs.tgz.part-0118 filter=lfs diff=lfs merge=lfs -text128raw/lit-pcba_vs.tgz.part-0103 filter=lfs diff=lfs merge=lfs -text129raw/lit-pcba_vs.tgz.part-0108 filter=lfs diff=lfs merge=lfs -text130raw/lit-pcba_vs.tgz.part-0120 filter=lfs diff=lfs merge=lfs -text131raw/lit-pcba_vs.tgz.part-0139 filter=lfs diff=lfs merge=lfs -text132raw/lit-pcba_vs.tgz.part-0000 filter=lfs diff=lfs merge=lfs -text133raw/lit-pcba_vs.tgz.part-0001 filter=lfs diff=lfs merge=lfs -text134raw/lit-pcba_vs.tgz.part-0002 filter=lfs diff=lfs merge=lfs -text135raw/lit-pcba_vs.tgz.part-0003 filter=lfs diff=lfs merge=lfs -text136raw/lit-pcba_vs.tgz.part-0004 filter=lfs diff=lfs merge=lfs -text137raw/lit-pcba_vs.tgz.part-0005 filter=lfs diff=lfs merge=lfs -text138raw/lit-pcba_vs.tgz.part-0006 filter=lfs diff=lfs merge=lfs -text139raw/lit-pcba_vs.tgz.part-0007 filter=lfs diff=lfs merge=lfs -text140raw/lit-pcba_vs.tgz.part-0008 filter=lfs diff=lfs merge=lfs -text141raw/lit-pcba_vs.tgz.part-0009 filter=lfs diff=lfs merge=lfs -text142raw/lit-pcba_vs.tgz.part-0010 filter=lfs diff=lfs merge=lfs -text143raw/lit-pcba_vs.tgz.part-0011 filter=lfs diff=lfs merge=lfs -text144raw/lit-pcba_vs.tgz.part-0012 filter=lfs diff=lfs merge=lfs -text145raw/lit-pcba_vs.tgz.part-0013 filter=lfs diff=lfs merge=lfs -text146raw/lit-pcba_vs.tgz.part-0014 filter=lfs diff=lfs merge=lfs -text147raw/lit-pcba_vs.tgz.part-0015 filter=lfs diff=lfs merge=lfs -text148raw/lit-pcba_vs.tgz.part-0016 filter=lfs diff=lfs merge=lfs -text149raw/lit-pcba_vs.tgz.part-0017 filter=lfs diff=lfs merge=lfs -text150raw/lit-pcba_vs.tgz.part-0018 filter=lfs diff=lfs merge=lfs -text151raw/lit-pcba_vs.tgz.part-0019 filter=lfs diff=lfs merge=lfs -text152raw/lit-pcba_vs.tgz.part-0020 filter=lfs diff=lfs merge=lfs -text153raw/lit-pcba_vs.tgz.part-0021 filter=lfs diff=lfs merge=lfs -text154raw/lit-pcba_vs.tgz.part-0022 filter=lfs diff=lfs merge=lfs -text155raw/lit-pcba_vs.tgz.part-0023 filter=lfs diff=lfs merge=lfs -text156raw/lit-pcba_vs.tgz.part-0024 filter=lfs diff=lfs merge=lfs -text157raw/lit-pcba_vs.tgz.part-0025 filter=lfs diff=lfs merge=lfs -text158raw/lit-pcba_vs.tgz.part-0026 filter=lfs diff=lfs merge=lfs -text159raw/lit-pcba_vs.tgz.part-0027 filter=lfs diff=lfs merge=lfs -text160raw/lit-pcba_vs.tgz.part-0028 filter=lfs diff=lfs merge=lfs -text161raw/lit-pcba_vs.tgz.part-0029 filter=lfs diff=lfs merge=lfs -text162raw/lit-pcba_vs.tgz.part-0030 filter=lfs diff=lfs merge=lfs -text163raw/lit-pcba_vs.tgz.part-0031 filter=lfs diff=lfs merge=lfs -text164raw/lit-pcba_vs.tgz.part-0032 filter=lfs diff=lfs merge=lfs -text165raw/lit-pcba_vs.tgz.part-0033 filter=lfs diff=lfs merge=lfs -text166raw/lit-pcba_vs.tgz.part-0034 filter=lfs diff=lfs merge=lfs -text167raw/lit-pcba_vs.tgz.part-0035 filter=lfs diff=lfs merge=lfs -text168raw/lit-pcba_vs.tgz.part-0036 filter=lfs diff=lfs merge=lfs -text169raw/lit-pcba_vs.tgz.part-0037 filter=lfs diff=lfs merge=lfs -text170raw/lit-pcba_vs.tgz.part-0038 filter=lfs diff=lfs merge=lfs -text171raw/lit-pcba_vs.tgz.part-0039 filter=lfs diff=lfs merge=lfs -text172raw/lit-pcba_vs.tgz.part-0040 filter=lfs diff=lfs merge=lfs -text173raw/lit-pcba_vs.tgz.part-0041 filter=lfs diff=lfs merge=lfs -text174raw/lit-pcba_vs.tgz.part-0042 filter=lfs diff=lfs merge=lfs -text175raw/lit-pcba_vs.tgz.part-0043 filter=lfs diff=lfs merge=lfs -text176raw/lit-pcba_vs.tgz.part-0044 filter=lfs diff=lfs merge=lfs -text177raw/lit-pcba_vs.tgz.part-0045 filter=lfs diff=lfs merge=lfs -text178raw/lit-pcba_vs.tgz.part-0046 filter=lfs diff=lfs merge=lfs -text179raw/lit-pcba_vs.tgz.part-0047 filter=lfs diff=lfs merge=lfs -text180raw/lit-pcba_vs.tgz.part-0048 filter=lfs diff=lfs merge=lfs -text181raw/lit-pcba_vs.tgz.part-0049 filter=lfs diff=lfs merge=lfs -text182raw/lit-pcba_vs.tgz.part-0050 filter=lfs diff=lfs merge=lfs -text183raw/lit-pcba_vs.tgz.part-0051 filter=lfs diff=lfs merge=lfs -text184raw/lit-pcba_vs.tgz.part-0052 filter=lfs diff=lfs merge=lfs -text185raw/lit-pcba_vs.tgz.part-0053 filter=lfs diff=lfs merge=lfs -text186raw/lit-pcba_vs.tgz.part-0054 filter=lfs diff=lfs merge=lfs -text187raw/lit-pcba_vs.tgz.part-0105 filter=lfs diff=lfs merge=lfs -text188raw/lit-pcba_vs.tgz.part-0119 filter=lfs diff=lfs merge=lfs -text189raw/lit-pcba_vs.tgz.part-0121 filter=lfs diff=lfs merge=lfs -text190raw/lit-pcba_vs.tgz.part-0124 filter=lfs diff=lfs merge=lfs -text191raw/lit-pcba_vs.tgz.part-0125 filter=lfs diff=lfs merge=lfs -text192raw/lit-pcba_vs.tgz.part-0126 filter=lfs diff=lfs merge=lfs -text193raw/lit-pcba_vs.tgz.part-0127 filter=lfs diff=lfs merge=lfs -text194raw/lit-pcba_vs.tgz.part-0128 filter=lfs diff=lfs merge=lfs -text195raw/lit-pcba_vs.tgz.part-0129 filter=lfs diff=lfs merge=lfs -text196raw/lit-pcba_vs.tgz.part-0131 filter=lfs diff=lfs merge=lfs -text197raw/lit-pcba_vs.tgz.part-0133 filter=lfs diff=lfs merge=lfs -text198raw/lit-pcba_vs.tgz.part-0134 filter=lfs diff=lfs merge=lfs -text199raw/lit-pcba_vs.tgz.part-0135 filter=lfs diff=lfs merge=lfs -text200raw/lit-pcba_vs.tgz.part-0136 filter=lfs diff=lfs merge=lfs -text201raw/lit-pcba_vs.tgz.part-0137 filter=lfs diff=lfs merge=lfs -text202raw/lit-pcba_vs.tgz.part-0138 filter=lfs diff=lfs merge=lfs -text203raw/lit-pcba_vs.tgz.part-0140 filter=lfs diff=lfs merge=lfs -text204raw/lit-pcba_vs.tgz.part-0141 filter=lfs diff=lfs merge=lfs -text205raw/lit-pcba_vs.tgz.part-0142 filter=lfs diff=lfs merge=lfs -text206raw/lit-pcba_vs.tgz.part-0143 filter=lfs diff=lfs merge=lfs -text207raw/lit-pcba_vs.tgz.part-0144 filter=lfs diff=lfs merge=lfs -text208raw/lit-pcba_vs.tgz.part-0145 filter=lfs diff=lfs merge=lfs -text209raw/lit-pcba_vs.tgz.part-0147 filter=lfs diff=lfs merge=lfs -text210