Hugging Face's logo

Datasets:
compsciencelab
/
mdCATH

Size:
10M<n<100M
ArXiv:
Tags:
chemistry
biology
molecular dynamics
neural network potential
DOI:
License:
Dataset card Files Community
5
AntonioMirarchi commited on
Commit
497b790
·
verified ·
1 Parent(s): 0f7c5c2

Upload mdcath dataset batch 0

Browse files
This view is limited to 50 files because it contains too many changes.   See raw diff
Files changed (50) hide show
  1. data/mdcath_dataset_12asA00.h5 +3 -0
  2. data/mdcath_dataset_153lA00.h5 +3 -0
  3. data/mdcath_dataset_16pkA02.h5 +3 -0
  4. data/mdcath_dataset_1a02F00.h5 +3 -0
  5. data/mdcath_dataset_1a05A00.h5 +3 -0
  6. data/mdcath_dataset_1a0aA00.h5 +3 -0
  7. data/mdcath_dataset_1a0hA01.h5 +3 -0
  8. data/mdcath_dataset_1a0rP01.h5 +3 -0
  9. data/mdcath_dataset_1a0sP00.h5 +3 -0
  10. data/mdcath_dataset_1a15A00.h5 +3 -0
  11. data/mdcath_dataset_1a1zA00.h5 +3 -0
  12. data/mdcath_dataset_1a2nA02.h5 +3 -0
  13. data/mdcath_dataset_1a39A00.h5 +3 -0
  14. data/mdcath_dataset_1a3dA00.h5 +3 -0
  15. data/mdcath_dataset_1a3oA00.h5 +3 -0
  16. data/mdcath_dataset_1a48A01.h5 +3 -0
  17. data/mdcath_dataset_1a5cA00.h5 +3 -0
  18. data/mdcath_dataset_1a66A00.h5 +3 -0
  19. data/mdcath_dataset_1a6aB01.h5 +3 -0
  20. data/mdcath_dataset_1a6cA02.h5 +3 -0
  21. data/mdcath_dataset_1a6sA00.h5 +3 -0
  22. data/mdcath_dataset_1a6tB01.h5 +3 -0
  23. data/mdcath_dataset_1a75A00.h5 +3 -0
  24. data/mdcath_dataset_1a7gE00.h5 +3 -0
  25. data/mdcath_dataset_1a7mA00.h5 +3 -0
  26. data/mdcath_dataset_1a87A01.h5 +3 -0
  27. data/mdcath_dataset_1a87A02.h5 +3 -0
  28. data/mdcath_dataset_1a91A00.h5 +3 -0
  29. data/mdcath_dataset_1a92A00.h5 +3 -0
  30. data/mdcath_dataset_1a94A00.h5 +3 -0
  31. data/mdcath_dataset_1a9nC00.h5 +3 -0
  32. data/mdcath_dataset_1a9vA00.h5 +3 -0
  33. data/mdcath_dataset_1a9xB01.h5 +3 -0
  34. data/mdcath_dataset_1aa7A02.h5 +3 -0
  35. data/mdcath_dataset_1aabA00.h5 +3 -0
  36. data/mdcath_dataset_1aamA02.h5 +3 -0
  37. data/mdcath_dataset_1ac5A00.h5 +3 -0
  38. data/mdcath_dataset_1acoA01.h5 +3 -0
  39. data/mdcath_dataset_1ad1A00.h5 +3 -0
  40. data/mdcath_dataset_1ad3A02.h5 +3 -0
  41. data/mdcath_dataset_1adnA00.h5 +3 -0
  42. data/mdcath_dataset_1aepA00.h5 +3 -0
  43. data/mdcath_dataset_1af7A01.h5 +3 -0
  44. data/mdcath_dataset_1afsA00.h5 +3 -0
  45. data/mdcath_dataset_1ahpA01.h5 +3 -0
  46. data/mdcath_dataset_1ahsA00.h5 +3 -0
  47. data/mdcath_dataset_1aihA00.h5 +3 -0
  48. data/mdcath_dataset_1ajoA00.h5 +3 -0
  49. data/mdcath_dataset_1ak0A00.h5 +3 -0
  50. data/mdcath_dataset_1ak2A00.h5 +3 -0
data/mdcath_dataset_12asA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:017fa757c4f88990ecf5e499a216b7bcafc266bd17ef8faf98ba6d624b5db6a5
3
+ size 1508940168
data/mdcath_dataset_153lA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:60fbe7cc7ccc1c376f0d7ab4b94a553bb9f3c855a81bae48afb9ce5686f6bb6b
3
+ size 850889700
data/mdcath_dataset_16pkA02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a0bd1c0539060bdb2ca4d5c59001f29f6e722e542476cef730d0fcb05df50dd5
3
+ size 946854332
data/mdcath_dataset_1a02F00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:feb378ca170ec1b2dee018687ddf0e905fd83b57aab4db42dcbb2ee4d21cc134
3
+ size 278607660
data/mdcath_dataset_1a05A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:48812f7afd356a5d25249b51967f2ed9e5ebbc38a13876fc6d878cb7d07b15d1
3
+ size 1604959336
data/mdcath_dataset_1a0aA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:45190346880052a59edfeccd5f6a40776ffab1ef6a0fb9390dd676c8f9270f6b
3
+ size 300396268
data/mdcath_dataset_1a0hA01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:013eca26df1c5f7252c16523c5718714c72ce0d8a31271506ceeaa2d11679c1f
3
+ size 397631444
data/mdcath_dataset_1a0rP01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:7399ed40f55dbc33f87965cb134a9c6efe90737cd7b3c6138ca3ec4244a40e8a
3
+ size 593998656
data/mdcath_dataset_1a0sP00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:eb4574ebfb6ab7fbb703227c6cf3b4b6ce60b644087df56c7b72b6f93f7c4779
3
+ size 1824633416
data/mdcath_dataset_1a15A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:309629bfafc1b659d7196dd261c1d7ca5db5066a70e1ce7f12ac0168de82e34c
3
+ size 331654564
data/mdcath_dataset_1a1zA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b9f7d54b76b83a5931d8e8f96b7463ee0ad4b5a7d041f35897c2c2aa5a4a97d8
3
+ size 399558912
data/mdcath_dataset_1a2nA02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:129752632156957e34bdc5962e83b8f24ff01cc5cfd349eae6aaabc2f0be4658
3
+ size 931014364
data/mdcath_dataset_1a39A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:42e365fc607471284ef8216da282666da3447cb2580380d005f75cf50fea3803
3
+ size 1797068116
data/mdcath_dataset_1a3dA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:08527a1ea9a000d114d832c2c1364bacb7fcd96bcc866de791872675f97035ab
3
+ size 525583044
data/mdcath_dataset_1a3oA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:bcfcaf5b7cd19b71a1a4a2f226776272b2cd53d806db6abac9841d929e6970f3
3
+ size 634946928
data/mdcath_dataset_1a48A01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:72ddf7e57796357c417d5cb910af89f9c6cae57862e9ff152b7ab2514e8d5202
3
+ size 536859288
data/mdcath_dataset_1a5cA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:fb694978440efed7f9359e587d393e2283a9ccf5056861c6f29a8f8b9a486757
3
+ size 1550168636
data/mdcath_dataset_1a66A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2b2e41ad0e406130575d429ce78a15c1b6674cfd17ecd0f0d09f648d8cbec03a
3
+ size 836675588
data/mdcath_dataset_1a6aB01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:150374198f1ec3579b99d2f27cf3a635249c62feccf06b60ec610215c4d37990
3
+ size 436215188
data/mdcath_dataset_1a6cA02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d10f7bff82d79412256649ff224cfdb79c7bb61bcce6b81eb946c4d742196c5c
3
+ size 763075912
data/mdcath_dataset_1a6sA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:422a39a9444ded31ce4824fe4730f5ed44af640bbd8b9559288a94de4b1c10d2
3
+ size 394093384
data/mdcath_dataset_1a6tB01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ed53e59018e91e3ba97fa4444d38a3af5e8abf71a7e1dc14ca4c8f1945212017
3
+ size 530613076
data/mdcath_dataset_1a75A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:673f7bc8cd23b52d51a50d31ed9cc38f01797894e3458e5dbe4f70bacd6ee6dd
3
+ size 463826900
data/mdcath_dataset_1a7gE00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:7d0df2279280bb616a52b6caf27aafa5734871a90d55a4e503139dd13c6722de
3
+ size 392257316
data/mdcath_dataset_1a7mA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:cf1fc3ed327f5911e2d7d411e0c3e96874c76d29e9b2411f8dc93e21b2dc9b7d
3
+ size 827443732
data/mdcath_dataset_1a87A01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4c3b8e3edecc8276f53d0162f9e79a708b747c1b4691113b6d6c7c5a17f5e152
3
+ size 470653968
data/mdcath_dataset_1a87A02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3e41736e51ed46f8e4814393e21e704fe0c670be3fbf9dd576de6cbfc6d176ef
3
+ size 923477100
data/mdcath_dataset_1a91A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6e4d9e287f7b5e919ca0d0bffb0324782cca1f7f944f5e42c0e52f772607b807
3
+ size 360816832
data/mdcath_dataset_1a92A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:cc0ed9f860403446cfd8dde5c3eef1282a9e1a0be597d7134220166e8d589cca
3
+ size 262515108
data/mdcath_dataset_1a94A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4afde92c3622a767681f49ae9a864bddbcdf27ca546ee376e8bd01662f218d9b
3
+ size 466058616
data/mdcath_dataset_1a9nC00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:344a0147de9e5015cc927cfe254ace2ff553af03339a0f00835334eab64cef2b
3
+ size 845800612
data/mdcath_dataset_1a9vA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:0d227cca918f3f5f2586c7c8bc50f3f3df1ca0c3329ee879b96711465163d562
3
+ size 585564496
data/mdcath_dataset_1a9xB01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8ecbbb84405fb9593b66e88b6a038ae4b30d8df2fe07b9caa1721ca46d750999
3
+ size 679026656
data/mdcath_dataset_1aa7A02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c8d0c9962780d467485fbb009e563750eabfc475be7d3b370a517486b0487895
3
+ size 349227120
data/mdcath_dataset_1aabA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:f488616faff97418f131c4c44c2a54816df42cb2d9e34d4197183127e3d7bcd7
3
+ size 402913392
data/mdcath_dataset_1aamA02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2b4a06933c90b711ec4e5054c7d646da63b6c68d57dba9f78bcc9bc4d5385deb
3
+ size 1222848464
data/mdcath_dataset_1ac5A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:165628879de5fbc7e4e7970da6fb6d5bd91b6b3817edf864f581fb64f99d51d3
3
+ size 2194379344
data/mdcath_dataset_1acoA01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3dec067e37ee2f5899cbd78e37b0d341baea24228b06f75dcda76968f2e0ac44
3
+ size 924666296
data/mdcath_dataset_1ad1A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:9362336890ddf4ae6257307336a6e29cde71a89bd1e18f12e7ecec03343ab06c
3
+ size 1206655988
data/mdcath_dataset_1ad3A02.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:af968982bd7dc30ab554581102d7480d1ae22958b8eb18c5a72e02b7e558d348
3
+ size 904742544
data/mdcath_dataset_1adnA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d2e213a1d099a39f813621f455a789745a0277b5a4afae0e5aebe9ac050e49ae
3
+ size 433925868
data/mdcath_dataset_1aepA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3131a0589250fc28c89c35728ccf61beb56638d507ca566f3bf7ddc627700cc0
3
+ size 683602168
data/mdcath_dataset_1af7A01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c22fe12329aeb095393681a2a1d55891d214e2a719a0e982fd21bab3d0d14c83
3
+ size 395806964
data/mdcath_dataset_1afsA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6760da52daf1e66d454538898a28c51a935d1af1f9a069dd0b5056dd14fe9bd7
3
+ size 1518116680
data/mdcath_dataset_1ahpA01.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:49a5f8c0e5619dc4bec6652aea698c2a1b229f73374be104887382accaadd5e7
3
+ size 2179331160
data/mdcath_dataset_1ahsA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:06b23be0204091d1d9d6052d1d47cb1559bf7e78593778dac97b9ce62b617d18
3
+ size 560473012
data/mdcath_dataset_1aihA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2881fac90d7aadda694695ef5655599ecd6aaee8a0dd45dcfeb154d65ae23975
3
+ size 809378360
data/mdcath_dataset_1ajoA00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e216b192686e43b77baf1b529fbe0d119ddabac81100ca51faee96f8c6f00852
3
+ size 954664132
data/mdcath_dataset_1ak0A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:9e127c40dea44816ee4944545babaf30ac6d0885309475820dee01bc0fdc74cc
3
+ size 1146155028
data/mdcath_dataset_1ak2A00.h5 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:7ac22146170c66ad3919ec034d6bfb0c2787fb521bc632caf175013ccc47249f
3
+ size 1019221132