Difference between revisions of "Smallworlds On Abacus"

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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 |1350462346    |10736122  |1361198468 |
  |Enamine-V-2020Q2-1.2B                            |96  GB |
+
  |Enamine-V-2020Q2-1.2B                            |96  GB |1203883885    |7839838    |1211723723
 
  |Enamine-V-M-2020Q2-408M                          |41  GB |
 
  |Enamine-V-M-2020Q2-408M                          |41  GB |
 
  |Enamine-V-S-2020Q2-803M                          |58  GB |
 
  |Enamine-V-S-2020Q2-803M                          |58  GB |
Line 35: Line 35:
 
  |ZINC-For-Sale-2020Q2-1.46B                      |110 GB |
 
  |ZINC-For-Sale-2020Q2-1.46B                      |110 GB |
 
  |ZINC-Interesting-2020Q2-300K                    |30  MB |
 
  |ZINC-Interesting-2020Q2-300K                    |30  MB |
  +-------------------------------------------------+-------+
+
  +-------------------------------------------------+-------+----------+
  
 
== Private Smallworld ==
 
== Private Smallworld ==
Line 55: Line 55:
 
  |EnaminePrivate-All-19Q2-11.7B                    |1.2 TB |
 
  |EnaminePrivate-All-19Q2-11.7B                    |1.2 TB |
 
  |EnamineReal2020-2020Q1-12.2B                    |733 GB |
 
  |EnamineReal2020-2020Q1-12.2B                    |733 GB |
 +
|Enamine_REAL_Space_June_2020_All_13.5B          |778 GB |
 +
|Enamine_REAL_Space_June_2020_M13.5B              |701 GB |
 
  |Enamine_REAL_Space_June_2020_S13.5B              |78  GB |
 
  |Enamine_REAL_Space_June_2020_S13.5B              |78  GB |
 
  +-------------------------------------------------+-------+
 
  +-------------------------------------------------+-------+

Revision as of 13:01, 10 September 2020

Introduction

Abacus hosts three smallworld servers. 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: /mnt/nfs/db2/private_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 |1350462346    |10736122   |1361198468 |
|Enamine-V-2020Q2-1.2B                            |96  GB |1203883885    |7839838    |1211723723
|Enamine-V-M-2020Q2-408M                          |41  GB |
|Enamine-V-S-2020Q2-803M                          |58  GB |
|HMDB-2020Q2-584                                  |56  KB |
|In-Stock-2020Q2-13.8M                            |1.1 GB |
|TCNMP-2020Q2-31912                               |3.3 MB |
|Wait-OK-2020Q2-1.2B                              |89  GB |
|WorldDrugs-2020Q2-3004                           |275 KB |
|WuXi-2020Q2-120M                                 |12  GB |
|ZINC-All-2020Q2-1.46B                            |110 GB |
|ZINC-For-Sale-2020Q2-1.46B                       |110 GB |
|ZINC-Interesting-2020Q2-300K                     |30  MB |
+-------------------------------------------------+-------+----------+

Private Smallworld

Location: /mnt/nfs/db2/private_smallworld/maps

Client Files Location: /mnt/nfs/db2/.extract/webapps/

Private Smallworld contains these datasets:

+-------------------------------------------------+-------+
|Dataset                                          |Size   |
+-------------------------------------------------+-------+
|EnaminePrivate-0-400-19Q2-5.6B                   |520 GB |
|EnaminePrivate-0-400-19Q4-7.8B                   |737 GB |
|EnaminePrivate0to500-19Q2-11.6B                  |1.1 TB |
|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_All_13.5B           |778 GB |
|Enamine_REAL_Space_June_2020_M13.5B              |701 GB |
|Enamine_REAL_Space_June_2020_S13.5B              |78  GB |
+-------------------------------------------------+-------+

Super Private Smallworld

Location: /mnt/nfs/db2/super_private_smallworld/maps

Client Files Location: /mnt/nfs/db2/private_smallworld/maps/.extract/webapps/