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matt (Matthieu Haeberle)

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Repositories (1)

User Details

User Since
Nov 1 2021, 14:34 (34 w, 6 d)
Availability
Available
Organization
epfl.ch (university)

Recent Activity

Tue, Jun 14

matt committed rMLKRR1e402b9b4ec1: imported overleaf file. (authored by matt).
imported overleaf file.
Tue, Jun 14, 11:08

Wed, Jun 8

matt committed rMLKRR1272364a3ff7: minor changes to 3.2. (authored by matt).
minor changes to 3.2.
Wed, Jun 8, 21:22
matt committed rMLKRRc58c3a263736: Changes on section 3.2: two-step optimization, data split, and less imposing… (authored by matt).
Changes on section 3.2: two-step optimization, data split, and less imposing…
Wed, Jun 8, 16:29

Sun, Jun 5

matt committed rMLKRR3bb15fc869b4: Fixed conflict between iopart class and amsmath package. Bibliography is still… (authored by matt).
Fixed conflict between iopart class and amsmath package. Bibliography is still…
Sun, Jun 5, 19:56

Jun 3 2022

matt committed rMLKRR5346149c67e1: Initial commit (authored by matt).
Initial commit
Jun 3 2022, 15:19

Jan 10 2022

matt committed R11301:385c016290e9: Forgot to fix merge issues. (authored by matt).
Forgot to fix merge issues.
Jan 10 2022, 12:08
matt committed R11301:93eb3e78a418: Added support for vector representations of qm7 database. (authored by matt).
Added support for vector representations of qm7 database.
Jan 10 2022, 11:57
matt committed R11301:932081c4a349: Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl (authored by matt).
Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl
Jan 10 2022, 11:57

Jan 6 2022

matt committed R11301:1c17dba2d764: Changed preprocess.py for old qm7 data to have same structure as the new ones. (authored by matt).
Changed preprocess.py for old qm7 data to have same structure as the new ones.
Jan 6 2022, 23:05

Dec 21 2021

matt committed R11301:d00e36abbefe: Added modifiable constant for fragmentation penalty (authored by matt).
Added modifiable constant for fragmentation penalty
Dec 21 2021, 15:03
matt committed R11301:fa27a77d2a83: Support for 3 new vector representations. Model parameters to avoid getting… (authored by matt).
Support for 3 new vector representations. Model parameters to avoid getting…
Dec 21 2021, 14:21

Dec 20 2021

matt committed R11301:a3515913792d: Force filling solution pool with best solutions. (authored by matt).
Force filling solution pool with best solutions.
Dec 20 2021, 15:27

Dec 15 2021

matt committed R11301:bcbc7a7b5891: Added SLATM representation support (authored by matt).
Added SLATM representation support
Dec 15 2021, 21:12

Dec 6 2021

matt committed R11301:1a514eeaa66c: Added partial molecule penalty (authored by matt).
Added partial molecule penalty
Dec 6 2021, 15:55

Dec 5 2021

matt committed R11301:a6c6e4a68e80: fixed objective value (authored by matt).
fixed objective value
Dec 5 2021, 01:44

Dec 3 2021

matt committed R11301:3005d8c71b0b: Added back molecule duplication - limited to 3 copies for perfomance (authored by matt).
Added back molecule duplication - limited to 3 copies for perfomance
Dec 3 2021, 14:57

Nov 30 2021

matt committed R11301:2ae2563a46c3: Switched to ideal databases. Removed duplicate molecules until objective… (authored by matt).
Switched to ideal databases. Removed duplicate molecules until objective…
Nov 30 2021, 01:36

Nov 25 2021

matt committed R11301:3744c8b0cf63: Removed (commented) the connectivity conditions that were based on adjacency… (authored by matt).
Removed (commented) the connectivity conditions that were based on adjacency…
Nov 25 2021, 16:41

Nov 22 2021

matt committed R11301:b1b6ccce0c15: Added preprocessing of the connectivity matrices to improve on runtime; various… (authored by matt).
Added preprocessing of the connectivity matrices to improve on runtime; various…
Nov 22 2021, 15:26

Nov 20 2021

matt committed R11301:23da2886dc0f: Memory improvements; readded taking molecules multiple times. (authored by matt).
Memory improvements; readded taking molecules multiple times.
Nov 20 2021, 18:49

Nov 19 2021

matt committed R11301:3ae7e7d2c4ca: Added weak connectivity conditions on fragments of molecule taken. Issues… (authored by matt).
Added weak connectivity conditions on fragments of molecule taken. Issues…
Nov 19 2021, 19:46

Nov 16 2021

matt committed R11301:3d34d30e4e22: Removed partial target matching; added parameter for size of molecule fragment (authored by matt).
Removed partial target matching; added parameter for size of molecule fragment
Nov 16 2021, 13:46

Nov 12 2021

matt committed R11301:1463d851f136: Improved output runtime; now prints old positions (indices+1) before… (authored by matt).
Improved output runtime; now prints old positions (indices+1) before…
Nov 12 2021, 13:37

Nov 11 2021

matt committed R11301:cad06c9aec83: Modifed preprocessing to remove hydrogens; various changes on onepass (i forgot… (authored by matt).
Modifed preprocessing to remove hydrogens; various changes on onepass (i forgot…
Nov 11 2021, 16:28

Nov 10 2021

matt committed R11301:bd45bf0be154: Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl (authored by matt).
Merge branch 'master' of https://c4science.ch/diffusion/11301/molekuehl
Nov 10 2021, 14:48
matt committed R11301:51ebee2f6454: Enhanced output; fixed size constraints. (authored by matt).
Enhanced output; fixed size constraints.
Nov 10 2021, 14:48

Nov 9 2021

matt committed R11301:6b022f2e9bb6: Allow partial molecule with threshold; force portion of target to be assigned… (authored by matt).
Allow partial molecule with threshold; force portion of target to be assigned…
Nov 9 2021, 16:22
matt committed R11301:ee3c54d0dd06: First sketch of preprocessing; allowed taking molecules multiple times (authored by matt).
First sketch of preprocessing; allowed taking molecules multiple times
Nov 9 2021, 14:45

Nov 8 2021

matt committed R11301:a440a7a3f8b0: Added output for stored solutions; time and gap limits. (authored by matt).
Added output for stored solutions; time and gap limits.
Nov 8 2021, 16:51

Nov 5 2021

matt committed R11301:d457ff7a09fe: Few changes to improve running time (authored by matt).
Few changes to improve running time
Nov 5 2021, 19:19

Nov 4 2021

matt committed R11301:d3cf1ed4215f: Code refactoring (authored by matt).
Code refactoring
Nov 4 2021, 14:17

Nov 3 2021

matt committed R11301:ec9dddbcc754: few fixes (authored by matt).
few fixes
Nov 3 2021, 17:47
matt committed R11301:2870d9c1d762: New file aiming for one-pass algorithm based on gurobi.py. (authored by matt).
New file aiming for one-pass algorithm based on gurobi.py.
Nov 3 2021, 17:47

Nov 2 2021

matt committed R11301:67a64e4986a7: Revert last commit (authored by matt).
Revert last commit
Nov 2 2021, 16:07
matt added a reverting change for R11301:e2bd4b3dbe78: Added penalty on size of molecule (needs later tuning): R11301:67a64e4986a7: Revert last commit.
Nov 2 2021, 16:07
matt committed R11301:b06fc17d9898: Actually added size penalty this time (authored by matt).
Actually added size penalty this time
Nov 2 2021, 16:07
matt committed R11301:e2bd4b3dbe78: Added penalty on size of molecule (needs later tuning) (authored by matt).
Added penalty on size of molecule (needs later tuning)
Nov 2 2021, 15:35
matt committed R11301:a1f2b52fe731: Added loop on candidate molecules M to find best objective value (authored by matt).
Added loop on candidate molecules M to find best objective value
Nov 2 2021, 15:35
matt committed R11301:7d7c6bfa4252: Added timer on definition of each model; need to fix high running time leading… (authored by matt).
Added timer on definition of each model; need to fix high running time leading…
Nov 2 2021, 15:35

Nov 1 2021

matt updated matt.
Nov 1 2021, 14:48