Timothy Wall

I've found that this _almost_ works (presumably you could add any number of "release" part values rather than "dev"): ``` [bumpversion] current_version = 0.1.0 parse = (?P\d+) \.(?P\d+) \.(?P\d+) ((?P[a-z]+)(?P\d+))?...

Sample implementation: ``` try: if req == '--many--': cursor.executemany(arg[0], arg[1]) else: cursor.execute(req, arg) except Exception as err: ``` with a corresponding `executemany` definition: ``` def executemany(self, req, items): self.execute('--many--', (req,...

I'm using this as a cache for meta-information from a much larger ES database (the difference in access time is orders of magnitude). Once the ES db is established, it's...

ES => subset of data into sqlitedict => process data into a number of different redis dbs ES and sqlitedict are modified quite rarely in comparison to the redis dbs....

@mkviatkovskii thank you, is there documentation available for the `sim_type` options?

@mkviatkovskii I've regenerated the bingo db using the "chem" similarity type, and still get false "1.0" matches. In this case, Aspirin: `InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)` 13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)) o-Formylphenoxyacetic acid `InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)` 13-6-9(11)12/h1-5H,6H2,(H,11,12)) O-Acetyl-p-hydroxybenzoic acid `InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)`...

This may be related to a neo4j config setting. At one point I had this working (https is served via cloudfront through nginx to a different EC2 host). I can...

There may also be additional discrepancies depending on whether the starting molecule was created via SMILES or InChI: source `CC[C@@]1(C[C@H](C1)[C@](O)(c1ccc(Cl)[n]c1Cl)c1cc([n]c(N[C@@H](C)C(F)(F)F)[n]1)C(F)(F)F)NS` source InChI `InChI=1S/C20H21Cl2F6N5OS/c1-3-17(33-35)7-10(8-17)18(34,11-4-5-14(21)32-15(11)22)12-6-13(20(26,27)28)31-16(30-12)29-9(2)19(23,24)25/h4-6,9-10,33-35H,3,7-8H2,1-2H3,(H,29,30,31)/t9-,10-,17+,18-/m0/s1` target `C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F` target InChI `InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1` ``` score...

I see a similar error, although I can't provide a specific input to trigger the error. When running using python multiprocessing to create several nosql bingo dbs in parallel, I...

The uncaught exception is still present on python indigo 1.6.1. I'll see if I can narrow down the specific input, but it's a little tricky b/c there are perhaps 2-3...