Difference between revisions of "Smallworlds On Abacus"

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==  Smallworlds On Abacus ==
+
 
 +
== Introduction ==
 +
Abacus hosts three smallworld servers (one is confidential). Each server contains different datasets.
 +
 
 +
+-----------------+-------------------------+---------------+
 +
|Type            |Public                  |Private        |
 +
+-----------------+-------------------------+---------------+
 +
|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 |
 +
+-----------------+-------------------------+---------------+
 +
 
 +
== 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'''
 +
 
 +
[[Category:ZINC20]]

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