r/bioinformaticstools

Genome annotation folks: what do you wish current pipelines did better?

Hi everyone! A collaborator and I are in the early stages of building a new open-source pipeline for whole-genome gene prediction and annotation. Before we get too far into solidifying what it should do, I would really like to hear from people who actually annotate genomes.

What do current tools make harder than it needs to be? What still takes too much manual work or too many custom scripts? What results are difficult to trust? Are there useful tools, types of evidence, or separate parts of your workflow that you wish worked together better?

I am interested in both structural annotation, meaning predicting and refining gene models, and functional annotation. Feedback from any organism or project size is welcome, especially from people working with non-model organisms.

This could include installation and portability, combining gene predictors, incorporating RNA or protein evidence, GFF/GTF wrangling, comparing different annotations, QC, choosing which gene models to keep, manual review, functional annotation, HPC use, reproducibility, or anything else I have not thought of.

If you can, it would be helpful to mention:

  • what organism or taxonomic group you work on
  • what software or workflow you use now
  • what part causes the most frustration or uncertainty
  • what feature or integration would genuinely improve your work

No need to answer every bullet. Anecdotes, wish lists, horror stories, and “please just make X talk to Y” answers are all welcome.

The eventual goal is a pipeline that can take over after genome assembly and help get from “I have an assembly” to “I have an annotation I can trust and actually use.” We do not yet have a finished tool to promote, but we have a skeleton. We are trying to learn what the community needs before we build ourselves into a corner.

If you could change, add, or better connect one thing in genome annotation software, what would it be?

Edit: Got some comments echoing concern about lack of background research on my part, so I thought I would include an edit. I should have made this clearer in the original post.

I have read papers on existing tools and their issue trackers, used and modified existing tools, and built several annotation pipelines both independently and with collaborators. This project is growing out of those experiences, not an assumption that we can start from scratch and solve everything.

I am asking here because issue trackers do not always capture the workarounds people have learned to live with, why they abandoned a tool, or needs that never became a formal issue. I wanted broader, more organic feedback before we lock in the design.

I am approaching this in good faith and with plenty of humility about what I do not know. If you have a specific failure mode or design mistake you think we should avoid, I would genuinely value the input.

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u/0MGEM0 — 20 hours ago
▲ 841 r/bioinformaticstools+6 crossposts

Teaching Python the right way

Programming courses often focus heavily on understanding code, while paying far less attention to understanding the program state. But code does not exist in isolation. Its main goal is to change the program state, before ultimately producing some output.

To develop an accurate mental model of program execution, students need to understand both:

  • the instructions being executed
  • the values, references, and data structures those instructions create and modify

Reading code alone does not always reveal how the program state changes during execution. That is why I created 𝗺𝗲𝗺𝗼𝗿𝘆_𝗴𝗿𝗮𝗽𝗵: a tool that visualizes the state of a Python program as it changes, step by step.

It can help explain a wide range of introductory Python topics. Here are just a few examples:

Instead of reconstructing the program state from print statements, students can now watch it change as each line executes. This makes unfamiliar concepts easier to understand and bugs easier to fix.

Help your students learn Python programming more thoroughly and easily.

See: more examples

u/EmadFahim134 — 10 days ago
▲ 13 r/bioinformaticstools+2 crossposts

New Frontiers in Protein-Peptide Docking

Hey researchers! My team and I recently made a bioinformatics tool called HybriDock-Pep. We were working with peptides last year and over the summer, and we realized that current AI tools like AlphaFold and ESMFold are inaccurate with docking smaller protein under certain amino acids and peptides.

https://github.com/Tasty-Ramen2010/hybridock-pep

Essentially, it’s a binder docking pipeline where you give it a target protein PDB and an amino acid sequence. It folds, docks, and scores affinity and selectivity in kcal/mol with accuracy similar to that of ABFE. It is way cheaper to ran because it can be used on ANY hardware. We are currently in a testing phase and would love for you to test it and give feedback!

Commands to get started:

git clone --recurse-submodules https://github.com/Tasty-Ramen2010/hybridock-pep.git

cd hybridock-pep

./install.sh

ctrl+q

hybridock-pep dock \

--peptide ETFSDLWKLLPE --receptor data/pdbs/1YCR_mdm2.pdb \

--site 25.20 -25.61 -7.97 --box 30 --n-samples 20 \

--output-dir runs/demo

Happy Docking!

u/ApricotNo4287 — 6 days ago
▲ 0 r/bioinformaticstools+1 crossposts

Laptop computer Specs required for bioinformatician

Hello all.

I would like an honest and accurate answer based on real life bioinformatician working either as a freelance or in a research lab (research institute or company). What are the required specs to have in a laptop (macbook pro specifically): CPU/GPU, RAM (unified memory), and ssd storage?

Moreover, do all bioinformaticians (freelance or in research institute/company) work on cloud / HPC cluster servers. If it’s the case, should we rely on minimum specs (especially for RAM /unified memory which is extremely expensive if we upgrade it).

Many thanks in advance folks

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u/WashiTsuyo — 14 days ago
▲ 3 r/bioinformaticstools+3 crossposts

Looking for 3 testers for scientific plotting software; rewarding with 3-months of free usage

Hey.

I’m the developer of SciPlot, an online interactive plot editor that allows for the creation of high-quality and complex figures with presets for leading publications (Nature, IEEE, Science, Elsevier, etc.). It also supports project and figure sharing for efficient teamwork. We are aiming for academic-grade quality, while still keeping the editing intuitive and interactive (drag-and-dropping, objects, etc.). Simply put, it is essentially "Overleaf for plots".

You can check it out at sciplot.org

I am looking for 3 testers (that preferably work/study in science or in technical fields) for brief testing. You would get 7 day testing access, use the tool (preferably in your real workflow), and I would ask you about 3 questions. As a reward, you get 3 months free access to the tool, completely for free, no obligations. It's in the browser so you don't have to download anything.

If you're interested, please send me a DM and we'll talk.

Thanks.

u/ContentObligation526 — 12 days ago