kmansouri/OPERA
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
MATLABMIT
Issues
- 1
linux (ubuntu) installation help
#45 opened by jacksund - 3
problem with starting app.
#43 opened by Mikusumoto - 1
Is there a problem with replacing commons-text-1.6.jar and commons-text-1.9.jar with commons-text-1.10.0.jar (related to security alert CVE-2022-42889 / QID 377639 Text4Shell)?
#40 opened by P-raying - 2
does opera GUI perform de novo estimates?
#41 opened by cbroeckl - 5
- 1
Linux Ubuntu 22 issues
#42 opened by mnam-bruno - 1
Impossible use of OPERA CL in Red Hat
#44 opened by silvioloz - 2
- 1
Problem generating padel descriptors
#37 opened by PARODBE - 3
Knime workflow is missing in OPERA2.9_CL_par
#36 opened by tsufz - 1
Experimental results in Caco2_QR.csv
#35 opened by mmagithub - 2
question about the datasets used for training
#31 opened by mmagithub - 1
Trouble installing
#34 opened by ScottCoffin - 2
Java installation is required?
#33 opened by JenniferHem - 3
- 4
Storage of PadDEL and CDK descriptors and fingerprints in internal sqldb for re-use
#30 opened by tsufz - 1
CPU usage of PadDEL Java VM
#17 opened by tsufz - 1
Loading Fingerprint files
#29 opened by de-maas - 1
- 3
Java 8 dependency of PaDEL
#9 opened by tsufz - 2
Java vulnerability in KNIME dependency
#24 opened by ScottKolmar - 2
- 1
OPERA_data.zip
#26 opened by rohanvarm - 1
Place an error flag in the csv when failing for one molecule instead of giving up everything?
#25 opened by leoliu0 - 23
PaDEL needs updating to CDK 2.0
#1 opened by egonw - 1
Experimental values and predictions
#19 opened by JenniferHem - 1
pka-b value
#18 opened by tsufz - 1
- 1
CDK Exception
#21 opened by cjhousand - 1
Customising of pH for log D calculations
#3 opened by tsufz - 5
Regarding Agonist antagonist and Binders
#12 opened by gokulalgates - 1
Silent Installation-mode
#20 opened by AndreasDie - 12
Using the python libraries
#14 opened by JenniferHem - 1
Original Smiles in the output file are wrong
#13 opened by QizhiSu - 3
OPERA 2.6 command line parallel version crashing
#15 opened by rvaidya - 1
- 1
Opera 2.1 for Windows 32 bit
#5 opened by jcgraham - 1
Error with path in OPERA2_linux.m
#4 opened by mc-robinson - 1
Standalone QSAR ready model
#16 opened by tsufz - 0
- 1
Unable to open descriptors file
#11 opened by popenc - 1
MatLab link broken
#7 opened by tsufz - 1
OPERA 2.2: Issues with PaDEL Calculations
#6 opened by dmanheim89 - 3
Consistency of endpoints
#2 opened by tsufz