Eric Lang
Eric Lang
Hi, Appologies if this question has already been answered, but I do not seem to find it in the manual and within the entered Issues. I have run a clustering...
Hello, In your excellent paper, a key asspect used is the sequence identity between the artificial and any known natural sequences. May I ask how this sequence identity is calculated...
Hello, I was wondering if it is somehow possible to request an orthographic view of the structures displayed with `molpx.visualize.FES` for example. I know this is possible with NGLView using...
Hi, I am using molPX 0.17 installed with anaconda on a Ubuntu computer. I have attached the results of conda_list [conda_list.txt](https://github.com/markovmodel/molPX/files/2034853/conda_list.txt). I am trying to run the clustering section of...
Hello, In the ECNet paper, you built an unsupervised ECNet model that does not require DMS data for training. It uses the predicted probability of an amino acid at a...
Hello, Thank you very much for sharing ECNet with the scientific community. Could you please provide more information about the 'Fitness Score' which is required in the **Fitness TSV file**...
Hello, In the ECNet paper, the possibility to generate higher-order mutant from training on low-order varaints data is demonstrated. However, the `MTH3_HAEAESTABILIZED_Tawfik2015` example provided only predicts single point mutations. Could...
Hi, I have been trying to compile CHAP on our local cluster but ran into a number of issues. First the I encountered the same problem as described in https://github.com/channotation/chap/issues/5...
Hi, I am trying to run chap on a 50000 frames trajectory. However the job dies after about 1000 frames, I believe because it feels up all the RAM available...
Hello, Out of curiosity, are you planning to build an isambard conda package? All the python codes I use for molecular modelling are now available as conda packages which facilitate...