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.

kmansouri/OPERA Issues

problem with starting app.
Closed 2 months ago3
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)?
Closed 2 months ago1
does opera GUI perform de novo estimates?
Closed 2 months ago2
Problems with Opera CL that are not present in the GUI version
Updated 2 months ago5
Linux Ubuntu 22 issues
Updated 2 months ago1
Impossible use of OPERA CL in Red Hat
Closed 3 months ago1
Missing executable for Windows command line OPERA 2.9
Updated 4 months ago2
Problem generating padel descriptors
Closed 4 months ago1
Knime workflow is missing in OPERA2.9_CL_par
Closed a year ago3
Experimental results in Caco2_QR.csv
Closed a year ago1
question about the datasets used for training
Closed a year ago2
Trouble installing
Closed a year ago1
Java installation is required?
Closed a year ago2
Opera 2.8 - issues with the structural-standardization
Closed 2 years ago3
Storage of PadDEL and CDK descriptors and fingerprints in internal sqldb for re-use
Closed 2 years ago4
CPU usage of PadDEL Java VM
Closed 2 years ago1
Loading Fingerprint files
Closed 2 years ago1
what is the minimum memory capacity requirements for OPERA calculation？
Closed 2 years ago1
Java 8 dependency of PaDEL
Closed 2 years ago3
Java vulnerability in KNIME dependency
Closed 2 years ago2
Potentially missing setup.py from libOPERA2.8_Py.tar.gz?
Closed 2 years ago2
OPERA_data.zip
Closed 2 years ago1
Place an error flag in the csv when failing for one molecule instead of giving up everything?
Closed 2 years ago1
PaDEL needs updating to CDK 2.0
Updated 2 years ago23
Experimental values and predictions
Closed 3 years ago1
pka-b value
Closed 3 years ago1
Melting points for organic molecule with 90 atoms (C & H only)
Closed 3 years ago1
CDK Exception
Closed 3 years ago1
Customising of pH for log D calculations
Closed 3 years ago1
Regarding Agonist antagonist and Binders
Closed 3 years ago5
Silent Installation-mode
Closed 3 years ago1
Using the python libraries
Closed 3 years ago12
Original Smiles in the output file are wrong
Closed 4 years ago1
OPERA 2.6 command line parallel version crashing
Closed 4 years ago3
Coloured and Rearranged Output [Feature Request]
Closed 4 years ago1
Opera 2.1 for Windows 32 bit
Closed 4 years ago1
Error with path in OPERA2_linux.m
Closed 4 years ago1
Standalone QSAR ready model
Closed 4 years ago1
Opera GX Colored Scroll Bar [Feature Request]
Closed 4 years ago
Unable to open descriptors file
Closed 4 years ago1
MatLab link broken
Closed 5 years ago1
OPERA 2.2: Issues with PaDEL Calculations
Closed 5 years ago1
Consistency of endpoints
Closed 6 years ago3