molvec
molvec copied to clipboard
ncats
A feeble attempt at molecular recognition (in the literal sense)
Hi, I was really happy to find the molvec demonstration page. https://molvec.ncats.io/ It is just what I needed to extract the structures from some images in my research field. I...
when trying to recognize example image(url: https://github.com/ncats/molvec/blob/master/test/hand-drawn.png), rising exception of ArrayIndexOutOfBoundsException. It's more likely related to Raster but failed to trace back. codes to reproduce: `BufferedImage image = ImageIO.read(....); String...
after downloading and using the mvn clean molvec, the system prints the error as follows: ``` Downloaded from central: https://repo.maven.apache.org/maven2/org/apache/maven/plugins/maven-javadoc-plugin/3.1.1/maven-javadoc-plugin-3.1.1.jar (481 kB at 465 kB/s) [INFO] ------------------------------------------------------------------------ [INFO] BUILD FAILURE...
the result prints only the major stuff within, can this be transformed into the SMILES expression?
Whenever I run the command **molvec -dir path -parallel n** with n > 1, I get output which resembles the following in the MOL files for each of the images...
Hi, We are using the molvec from chemical structure extraction. We help some to get the predicted score or accuracy value. How we get the predicted score or accuracy after...
-H became NH https://molvec.ncats.io/09434a7957  cyclopropane ring was not recognized correctly https://molvec.ncats.io/f44260e9e3  https://molvec.ncats.io/6ea7af2735  over connection https://molvec.ncats.io/5acc420b03  ring disappeared https://molvec.ncats.io/7c7d9b4748  https://molvec.ncats.io/6b2b185559  overinterpretation of the hash bond...
Using the image below, molvec version 0.9.8 is recognizing it as ethane (version 0.9.6 was finding propane). Is there something wrong with this PNG? Is there some kind of preprocessing...
