Hugging Face's logo

Datasets:
divelab
/
OrbEvo

ArXiv:
Dataset card Files
xet
 Community
xuanztamu commited on
Commit
7626e8c
·
verified ·
1 Parent(s): 38f9f6b

Add files using upload-large-folder tool

Browse files
This view is limited to 50 files because it contains too many changes.   See raw diff
Files changed (50) hide show
  1. QM9_tddft/raw/00001.pt +3 -0
  2. QM9_tddft/raw/00004.pt +3 -0
  3. QM9_tddft/raw/00013.pt +3 -0
  4. QM9_tddft/raw/00014.pt +3 -0
  5. QM9_tddft/raw/00019.pt +3 -0
  6. QM9_tddft/raw/00021.pt +3 -0
  7. QM9_tddft/raw/00023.pt +3 -0
  8. QM9_tddft/raw/00028.pt +3 -0
  9. QM9_tddft/raw/00029.pt +3 -0
  10. QM9_tddft/raw/00032.pt +3 -0
  11. QM9_tddft/raw/00049.pt +3 -0
  12. QM9_tddft/raw/00054.pt +3 -0
  13. QM9_tddft/raw/00058.pt +3 -0
  14. QM9_tddft/raw/00071.pt +3 -0
  15. QM9_tddft/raw/00084.pt +3 -0
  16. QM9_tddft/raw/00088.pt +3 -0
  17. QM9_tddft/raw/00089.pt +3 -0
  18. QM9_tddft/raw/00093.pt +3 -0
  19. QM9_tddft/raw/00098.pt +3 -0
  20. QM9_tddft/raw/00101.pt +3 -0
  21. QM9_tddft/raw/00107.pt +3 -0
  22. QM9_tddft/raw/00123.pt +3 -0
  23. QM9_tddft/raw/00124.pt +3 -0
  24. QM9_tddft/raw/00130.pt +3 -0
  25. QM9_tddft/raw/00142.pt +3 -0
  26. QM9_tddft/raw/00156.pt +3 -0
  27. QM9_tddft/raw/00159.pt +3 -0
  28. QM9_tddft/raw/00166.pt +3 -0
  29. QM9_tddft/raw/00170.pt +3 -0
  30. QM9_tddft/raw/00174.pt +3 -0
  31. QM9_tddft/raw/00181.pt +3 -0
  32. QM9_tddft/raw/00191.pt +3 -0
  33. QM9_tddft/raw/00201.pt +3 -0
  34. QM9_tddft/raw/00210.pt +3 -0
  35. QM9_tddft/raw/00217.pt +3 -0
  36. QM9_tddft/raw/00224.pt +3 -0
  37. QM9_tddft/raw/00226.pt +3 -0
  38. QM9_tddft/raw/00230.pt +3 -0
  39. QM9_tddft/raw/00238.pt +3 -0
  40. QM9_tddft/raw/00242.pt +3 -0
  41. QM9_tddft/raw/00247.pt +3 -0
  42. QM9_tddft/raw/00266.pt +3 -0
  43. QM9_tddft/raw/00281.pt +3 -0
  44. QM9_tddft/raw/00282.pt +3 -0
  45. QM9_tddft/raw/00294.pt +3 -0
  46. QM9_tddft/raw/00296.pt +3 -0
  47. QM9_tddft/raw/00312.pt +3 -0
  48. QM9_tddft/raw/00314.pt +3 -0
  49. QM9_tddft/raw/00315.pt +3 -0
  50. QM9_tddft/raw/00316.pt +3 -0
QM9_tddft/raw/00001.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e119d85b58cdf24af362e6c1cdec7568e44b4c49f2ad2455a2d57691258f0ef3
3
+ size 6462354
QM9_tddft/raw/00004.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b6f361a0b653c7e93c02c65d8f21190e9e92109910d95fd8b09a8ff3b6f0a978
3
+ size 5934994
QM9_tddft/raw/00013.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1bc9ae63d11edf0dcfcaa00a6692115094f47741009aae03e3f86d267d779a42
3
+ size 4368978
QM9_tddft/raw/00014.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:9b536f34958cdf02675a0dd1435ac058a36de7dbdb062b56d8abdd6d45c450cd
3
+ size 4247634
QM9_tddft/raw/00019.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3ee2148fa2553b0e042406f262b31310acdeed9b6ee99420ff9370c487eb6cb1
3
+ size 5587346
QM9_tddft/raw/00021.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:17e3f9112866279b84b128d11103731830fe4044012ef663b7393f8dbdd2ed26
3
+ size 4813650
QM9_tddft/raw/00023.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:840eeb18e5059119a90eb796f08a5702a668414384f9f777011617aad9361cd7
3
+ size 3347986
QM9_tddft/raw/00028.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4377cfa4ac96f7114c847d5d3a86d67448b6f474e8421fb58ed33cdc15fcc859
3
+ size 4526098
QM9_tddft/raw/00029.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e13d967407c5680425c2e0c2d8f0443de0caa2c677d62f1f28b7169b74bf99b0
3
+ size 6109970
QM9_tddft/raw/00032.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ddc8acf393493b1714e377f81c72d192f44d4db140ae458b53adcdec50fd2b65
3
+ size 4976530
QM9_tddft/raw/00049.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6003ae6a588d7b8f51c4ba561419004cce72afe87083a27c2205ff82869c7693
3
+ size 5760850
QM9_tddft/raw/00054.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:98227aac99db484c73113dd825c0ab5bcd9aa320c99a12c0d1e99c8789fd672f
3
+ size 4526098
QM9_tddft/raw/00058.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1a9f55568b2b1161ae681ce5f586512ef16b661c7a6a155984ef02fa64491042
3
+ size 5277586
QM9_tddft/raw/00071.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:9de500525809470a028158240da0c7da67d42a59422de28adfe74591576296a5
3
+ size 4776530
QM9_tddft/raw/00084.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a0307563d9a85ad6c00db45da4e59503b7b4e11612c5405138e03a42a66759ed
3
+ size 3067538
QM9_tddft/raw/00088.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:65a4811b57cadd063bde471bd620faccaa4a8f31201feee33aae4de1b6adf606
3
+ size 4056978
QM9_tddft/raw/00089.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ac095539463ca99b9552d21b5d814cacd629d4124cd143ae656eaf1fcc55bc28
3
+ size 5615442
QM9_tddft/raw/00093.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a876328e90d91972d09bb63caac853ffde6ea43009420d5b79fee74314b3c526
3
+ size 5109778
QM9_tddft/raw/00098.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a2067dfab6bd7e8f40a2db3d6e8ce59e1f123d40313acdb3383a38ecd85567dd
3
+ size 6624082
QM9_tddft/raw/00101.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:47298ee46332de1e17ef28621f9a44c1b4674b9b15d5223dc3d2fb1ce692c240
3
+ size 4813650
QM9_tddft/raw/00107.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d6638445c1370e2a1f1025f4d9ebe89e6def7f2921d7f458b97d0f4215b8660a
3
+ size 5615442
QM9_tddft/raw/00123.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b588ddd5bfe5007aabe6ae1f43ff6e2eec3c75ca5a43c0b7ef4390f93bfaa336
3
+ size 5140242
QM9_tddft/raw/00124.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:23b6de4058ca181caa08db4c3125c3ed09438de59a0e211611674f660dc8c4fa
3
+ size 6109970
QM9_tddft/raw/00130.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:575baf2ba17be46a3c93197acae5ddb209a0fc600460c6ea52924864c59f9dcd
3
+ size 4651346
QM9_tddft/raw/00142.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:197287bd41c037afc3117e128a09ee728fdbabcf6062b91b007c47a608ef67c7
3
+ size 5277586
QM9_tddft/raw/00156.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ac008cd0c2826601fadb1035745823391d2338877fac49ee87d699aeabb72b9d
3
+ size 5615442
QM9_tddft/raw/00159.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:5dd9e0759b6ffef39e3da07b92f6c85cbaa616cef8d5b12e0a5c9900b331da22
3
+ size 5205970
QM9_tddft/raw/00166.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ac6f348fbe3196ae9036749cb0f33f985749ef44e690b0a8c89a4efb6f28b4fd
3
+ size 4942866
QM9_tddft/raw/00170.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:399cab38794b0ab3e999e42105d01ddc697da27da81215f3fb3a6b3ed8463e40
3
+ size 4462482
QM9_tddft/raw/00174.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:37545962f6bc738869772b4be8f2d802051dfcf90754f66b9b51832ac0df6165
3
+ size 4212498
QM9_tddft/raw/00181.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c5036eae3d9542e449f2ee3770278529ef22d0f6184c007d057ad7518df8156e
3
+ size 4776530
QM9_tddft/raw/00191.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4e72e19c292de951cd17050c127e060716d6af3d652d7ff8b281407700006bdb
3
+ size 4776530
QM9_tddft/raw/00201.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:63f16687ce7d865f731c9ec61aed3a0639cf7d705e68ccf1c2e6267697d71179
3
+ size 4976530
QM9_tddft/raw/00210.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b9a6d7eaa9dcfaa4218f5c49851227365637e2ec58e9ef84baebbdfd72137422
3
+ size 3889618
QM9_tddft/raw/00217.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:65f2e67d56fa6713a1a291e18f39d5f282f3c9cdc10054029b1968395582246d
3
+ size 4526098
QM9_tddft/raw/00224.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8905ee6a803deb6b208f113fed428cf0039c6d92e0ad6ba2b496b6327ec2029c
3
+ size 4616850
QM9_tddft/raw/00226.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:77396b77f8e1adda347e1bb0d02e361674624b4a5cdccc7c6f170151abb2d282
3
+ size 4813650
QM9_tddft/raw/00230.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:65f68e651cab1d0ac9a78ed4c4cfe7d81270da078e3d3d358d1691cbc0e54b2c
3
+ size 4747858
QM9_tddft/raw/00238.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e6eafbce956808c752f07f7d66220ebd7b328b192a1efaa3b56ce50a56ff2ebb
3
+ size 2757522
QM9_tddft/raw/00242.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:066c5414057703e6d84737219bd2e5033c4f5883da26b6e0812796058a66dd3b
3
+ size 5760850
QM9_tddft/raw/00247.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c19bc879e526aeda80b5a26621a4ea7b72509de8dcebb3d09155a5d41d0b3595
3
+ size 4747858
QM9_tddft/raw/00266.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a6a4159a6f00ad70151e682f7939a1473b1ebb422af634c0b31b58b7e30c4709
3
+ size 6109970
QM9_tddft/raw/00281.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:83e28cc54c6a9ac6c20d028e6afa127695fd7d148eb3613ce1da9e2700388c94
3
+ size 5470034
QM9_tddft/raw/00282.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:61ad8d45d2343816602e7e75a2df870e40d63512d6a631f129fee8fc6000ec60
3
+ size 3432914
QM9_tddft/raw/00294.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:79bdc319a687d8aadff628e7946b341952a583f99e30cd54468165a84b3109af
3
+ size 6443282
QM9_tddft/raw/00296.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d4549e87b29d8002c2035623f9bb9032687b2db365a022010a9a44596053280b
3
+ size 3742546
QM9_tddft/raw/00312.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:753340ace7b4fc201e23f1b0e5e13a66edb4014a59032a5a2332404290638868
3
+ size 4368978
QM9_tddft/raw/00314.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d5e16c1f35e066ff8b32a4a483e8ea389f278fe3c1bfc87d4818d90a241dacb9
3
+ size 4747858
QM9_tddft/raw/00315.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:0218c8e01a0d0efae065d88c972d188b918c2ad69d77f51702025af51299f1f9
3
+ size 4684370
QM9_tddft/raw/00316.pt ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:fe954a9c723092dd527bd750f7585ae9eedf16b07e2ca0a91610feedff2b5e70
3
+ size 4335762