Difference between revisions of "Smallworlds On Abacus"

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== Introduction ==
 
== Introduction ==
Abacus hosts three smallworld servers. Each server contains different datasets.
+
Abacus hosts three smallworld servers (one is confidential). Each server contains different datasets.
  
 
  +-----------------+-------------------------+---------------+
 
  +-----------------+-------------------------+---------------+
 
  |Type            |Public                  |Private        |
 
  |Type            |Public                  |Private        |
 
  +-----------------+-------------------------+---------------+
 
  +-----------------+-------------------------+---------------+
  |Public          |[http://sw.docking.org sw.docking.org]         |10.20.0.5:5020 |
+
  |Public          |[http://sw.docking.org sw.docking.org]         |10.20.0.5:5020 |
  |Private          |[http://swp.docking.org swp.docking.org]         |10.20.0.5:8080 |
+
  |Private          |[http://swp.docking.org swp.docking.org]       |10.20.0.5:8080 |
|Super Private    |[http://swc.docking.org swc.docking.org]        |10.20.0.5:5099 |
 
 
  +-----------------+-------------------------+---------------+
 
  +-----------------+-------------------------+---------------+
  
 
== Public Smallworld ==
 
== Public Smallworld ==
'''Location: /mnt/nfs/db2/public_smallworld/maps'''
+
'''Maps Location: /mnt/nfs/db2/public_smallworld/maps'''
 +
 
 +
'''Client Files Location: /export/db2/public_smallworld/maps/.extract/webapps/'''
  
 
Public Smallworld contains these datasets:
 
Public Smallworld contains these datasets:
  
  +-------------------------------------------------+-------+
+
  +-------------------------------------------------+-------+---------------+-------------+--------------+
  |Dataset                                          |Size  |
+
  |Dataset                                          |Size  |Mapped        |Unmapped    |Total        |
  +-------------------------------------------------+-------+
+
  +-------------------------------------------------+-------+---------------+-------------+--------------+
  |BB-All-2020Q2-26.7M                              |1.6 GB |
+
  |BB-All-2020Q2-26.7M                              |1.6 GB |26,707,241    |80,744      |26,787,985    |
  |BB-Now-2020Q2-1.6M                              |109 MB |
+
  |BB-Now-2020Q2-1.6M                              |109 MB |1,649,386      |403          |1,649,789    |
  |Enamine_REAL_Public_July_2020_Q1-2_1.36B        |95  GB |
+
  |Enamine_REAL_Public_July_2020_Q1-2_1.36B        |95  GB |1,350,462,346  |10,736,122  |1,361,198,468 |
  |Enamine-V-2020Q2-1.2B                            |96  GB |
+
  |Enamine-V-2020Q2-1.2B                            |96  GB |1,203,883,885  |7,839,838    |1,211,723,723 |
  |Enamine-V-M-2020Q2-408M                          |41  GB |
+
  |Enamine-V-M-2020Q2-408M                          |41  GB |406,511,948    |1,965,428    |408,477,376  |
  |Enamine-V-S-2020Q2-803M                          |58  GB |
+
  |Enamine-V-S-2020Q2-803M                          |58  GB |797,371,937    |5,874,410    |803,246,347  |
  |HMDB-2020Q2-584                                  |56  KB |
+
  |HMDB-2020Q2-584                                  |56  KB |584            |1            |585          |
  |In-Stock-2020Q2-13.8M                            |1.1 GB |
+
  |In-Stock-2020Q2-13.8M                            |1.1 GB |13,829,086    |13,399      |13,842,485    |
  |TCNMP-2020Q2-31912                              |3.3 MB |
+
  |TCNMP-2020Q2-31912                              |3.3 MB |31,912        |5,526        |37,438        |
  |Wait-OK-2020Q2-1.2B                              |89  GB |
+
  |Wait-OK-2020Q2-1.2B                              |89  GB |1,172,785,190  |1,278,031    |1,174,063,221 |
  |WorldDrugs-2020Q2-3004                          |275 KB |
+
  |WorldDrugs-2020Q2-3004                          |275 KB |3,003          |1            |3,004        |
  |WuXi-2020Q2-120M                                |12  GB |
+
  |WuXi-2020Q2-120M                                |12  GB |120,400,570    |218,731,791  |339,132,361  |
  |ZINC-All-2020Q2-1.46B                            |110 GB |
+
  |ZINC-All-2020Q2-1.46B                            |110 GB |1,467,030,947  |1,523,691    |1,468,554,638 |
  |ZINC-For-Sale-2020Q2-1.46B                      |110 GB |
+
  |ZINC-For-Sale-2020Q2-1.46B                      |110 GB |1,463,519,428  |1,429,718    |1,464,949,146 |
  |ZINC-Interesting-2020Q2-300K                    |30  MB |
+
  |ZINC-Interesting-2020Q2-300K                    |30  MB |300,765        |7,089        |307,854      |
  +-------------------------------------------------+-------+
+
  +-------------------------------------------------+-------+---------------+-------------+--------------+
  
 
== Private Smallworld ==
 
== Private Smallworld ==
'''Location: /mnt/nfs/db2/private_smallworld/maps'''
+
'''Location: /mnt/nfs/db3/private_smallworld_2nd_gen/maps'''
 +
 
 +
'''Client Files Location: /export/db3/private_smallworld_2nd_gen/.extract'''
  
 
Private Smallworld contains these datasets:
 
Private Smallworld contains these datasets:
  
  +-------------------------------------------------+-------+
+
  +-------------------------------------------------+-------+---------------+---------------+---------------+
  |Dataset                                          |Size  |
+
  |Dataset                                          |Size  |Mapped        |Unmapped      |Total          |
  +-------------------------------------------------+-------+
+
  +-------------------------------------------------+-------+---------------+---------------+---------------+
|EnaminePrivate-0-400-19Q2-5.6B                  |520 GB |
+
  |REAL_Space_21Q1_12B(private)                    |1.2 TB |12,096,112,420 |1,666,872,621  |13,762,985,041 |
|EnaminePrivate-0-400-19Q4-7.8B                  |737 GB |
+
  |carboxylates_21Q2_43M                            |3.6 GB |43,168,261    |573,483        |43741744      |
|EnaminePrivate0to500-19Q2-11.6B                  |1.1 TB |
+
  |zinc_21Q1_40B                                    |3.0 TB |36,416,177,012 |3,426,319,040 |39,842,496,052 |
|EnaminePrivate-400-500-19Q4-8.5B                |861 GB |
+
  +-------------------------------------------------+-------+---------------+---------------+---------------+
|EnaminePrivate400to500-19Q2-6B                  |602 GB |
 
|EnaminePrivate-500-Inf-19Q4-120M                |13  GB |
 
  |EnaminePrivate-All-19Q2-11.7B                    |1.2 TB |
 
  |EnamineReal2020-2020Q1-12.2B                    |733 GB |
 
  |Enamine_REAL_Space_June_2020_S13.5B              |78 GB |
 
  +-------------------------------------------------+-------+
 
  
 
== Super Private Smallworld ==
 
== Super Private Smallworld ==
'''Location: /mnt/nfs/db2/super_private_smallworld/maps'''
+
'''Location: /mnt/nfs/db3/super_private_smallworld_2nd_gen/maps'''
 +
 
 +
'''Client Files Location: /export/db3/super_private_smallworld_2nd_gen/.extract'''
  
'''***Contains all Datasets from Private and Public***'''
+
[[Category:ZINC20]]
+-------------------------------------------------+-------+
 
|Dataset (Unique)                                |Size  |
 
+-------------------------------------------------+-------+
 
|EnaminePrivate-0-500-19Q4-16.3B                  |524 GB |
 
|EnaminePrivate-All-19Q4-16.5B                    |487 GB |
 
|Enamine_REAL_Space_June_2020_S41B                |153 GB |
 
+-------------------------------------------------+-------+
 

Latest revision as of 19:19, 4 May 2021

Introduction

Abacus hosts three smallworld servers (one is confidential). Each server contains different datasets.

+-----------------+-------------------------+---------------+
|Type             |Public                   |Private        |
+-----------------+-------------------------+---------------+
|Public           |sw.docking.org         |10.20.0.5:5020 |
|Private          |swp.docking.org        |10.20.0.5:8080 |
+-----------------+-------------------------+---------------+

Public Smallworld

Maps Location: /mnt/nfs/db2/public_smallworld/maps

Client Files Location: /export/db2/public_smallworld/maps/.extract/webapps/

Public Smallworld contains these datasets:

+-------------------------------------------------+-------+---------------+-------------+--------------+
|Dataset                                          |Size   |Mapped         |Unmapped     |Total         |
+-------------------------------------------------+-------+---------------+-------------+--------------+
|BB-All-2020Q2-26.7M                              |1.6 GB |26,707,241     |80,744       |26,787,985    |
|BB-Now-2020Q2-1.6M                               |109 MB |1,649,386      |403          |1,649,789     |
|Enamine_REAL_Public_July_2020_Q1-2_1.36B         |95  GB |1,350,462,346  |10,736,122   |1,361,198,468 |
|Enamine-V-2020Q2-1.2B                            |96  GB |1,203,883,885  |7,839,838    |1,211,723,723 |
|Enamine-V-M-2020Q2-408M                          |41  GB |406,511,948    |1,965,428    |408,477,376   |
|Enamine-V-S-2020Q2-803M                          |58  GB |797,371,937    |5,874,410    |803,246,347   |
|HMDB-2020Q2-584                                  |56  KB |584            |1            |585           |
|In-Stock-2020Q2-13.8M                            |1.1 GB |13,829,086     |13,399       |13,842,485    |
|TCNMP-2020Q2-31912                               |3.3 MB |31,912         |5,526        |37,438        |
|Wait-OK-2020Q2-1.2B                              |89  GB |1,172,785,190  |1,278,031    |1,174,063,221 |
|WorldDrugs-2020Q2-3004                           |275 KB |3,003          |1            |3,004         |
|WuXi-2020Q2-120M                                 |12  GB |120,400,570    |218,731,791  |339,132,361   |
|ZINC-All-2020Q2-1.46B                            |110 GB |1,467,030,947  |1,523,691    |1,468,554,638 |
|ZINC-For-Sale-2020Q2-1.46B                       |110 GB |1,463,519,428  |1,429,718    |1,464,949,146 |
|ZINC-Interesting-2020Q2-300K                     |30  MB |300,765        |7,089        |307,854       |
+-------------------------------------------------+-------+---------------+-------------+--------------+

Private Smallworld

Location: /mnt/nfs/db3/private_smallworld_2nd_gen/maps

Client Files Location: /export/db3/private_smallworld_2nd_gen/.extract

Private Smallworld contains these datasets:

+-------------------------------------------------+-------+---------------+---------------+---------------+
|Dataset                                          |Size   |Mapped         |Unmapped       |Total          |
+-------------------------------------------------+-------+---------------+---------------+---------------+
|REAL_Space_21Q1_12B(private)                     |1.2 TB |12,096,112,420 |1,666,872,621  |13,762,985,041 |
|carboxylates_21Q2_43M                            |3.6 GB |43,168,261     |573,483        |43741744       |
|zinc_21Q1_40B                                    |3.0 TB |36,416,177,012 |3,426,319,040  |39,842,496,052 |
+-------------------------------------------------+-------+---------------+---------------+---------------+

Super Private Smallworld

Location: /mnt/nfs/db3/super_private_smallworld_2nd_gen/maps

Client Files Location: /export/db3/super_private_smallworld_2nd_gen/.extract