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Documentation

  • Requesting An Account
  • Get Started
    • Common Terms
    • HPC Resources
    • Quick Start
    • Theory of HPC
      • Overview of threads, cores, and sockets in Slurm for HPC workflows
  • Cluster Specifications
    • Node Features (Constraints)
      • NVLink and NVSwitch
    • Node List
    • Partition List
      • Gypsum
    • Storage
  • Frequently Asked Questions
  • Connecting to Unity
    • SSH
    • Unity OnDemand
    • Connecting to Desktop VS Code
  • Managing Files
    • Command Line Interface (CLI)
    • Disk Quotas
    • FileZilla
    • Globus
    • Scratch: HPC Workspace
    • Unity OnDemand File Browser
  • Submitting Jobs
    • Batch Jobs
      • Array Batch Jobs
      • Large Job Counts
      • Monitor a batch job
    • Helper Scripts
    • Interactive CLI Jobs
    • Unity OnDemand
    • Message Passing Interface (MPI)
    • Slurm cheat sheet
  • Software Management
    • Conda
    • Modules
      • Module Usage
    • Renv
    • Unity OnDemand
      • JupyterLab OnDemand
    • Venv
  • Tools & Software
    • ColabFold
    • R
      • R Parallelization
    • Unity GPUs
  • Datasets
    • AI and ML
      • Code Llama
      • Imagenet
      • Imagenet 1K
      • LAION
      • Llama2
      • mixtral
    • Bioinformatics
      • AlphaFold Databases
      • AlphaFold3 Databases
      • BFD/MGnify
      • Big Fantastic Database
      • checkm
      • ColabFoldDB
      • dfam
      • EggNOG
      • GTDB
      • Kraken2
      • MGnify
      • NCBI BLAST databases
      • NCBI RefSeq database
      • PDB70
      • PDB70 for ColabFold
      • PINDER
      • PLINDER
      • Protein Data Bank
      • Protein Data Bank database in mmCIF format
      • Protein Data Bank database in SEQRES records
      • Tara Oceans 18S amplicon
      • Tara Oceans MATOU gene catalog
      • Tara Oceans MGT transcriptomes
      • Uniclust30
      • UniProtKB
      • UniRef100
      • UniRef100 BLAST database
      • UniRef30
      • UniRef90
  1. Unity
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  4. Bioinformatics
  5. PLINDER

PLINDER

Version: 2024-02
Path:/datasets/bio/plinder
URL:https://github.com/plinder-org/plinder
Downloaded:2024-10-31
Cite:Durairaj, J., Adeshina, Y., Cao, Z., Zhang, X., Oleinikovas, V., Duignan, T., McClure, Z., Robin, X., Studer, G., Kovtun, D., Rossi, E., Zhou, G., Veccham, S., Isert, C., Peng, Y., Sundareson, P., Akdel, M., Corso, G., Stärk, H., . . . Naef, L. (2024). PLINDER: The protein-ligand interactions dataset and evaluation resource. bioRxiv (Cold Spring Harbor Laboratory). https://doi.org/10.1101/2024.07.17.603955
Bibtex:
@article{Durairaj2024, title = {PLINDER: The protein-ligand interactions dataset and evaluation resource}, url = {http://dx.doi.org/10.1101/2024.07.17.603955}, DOI = {10.1101/2024.07.17.603955}, publisher = {Cold Spring Harbor Laboratory}, author = {Durairaj,  Janani and Adeshina,  Yusuf and Cao,  Zhonglin and Zhang,  Xuejin and Oleinikovas,  Vladas and Duignan,  Thomas and McClure,  Zachary and Robin,  Xavier and Studer,  Gabriel and Kovtun,  Daniel and Rossi,  Emanuele and Zhou,  Guoqing and Veccham,  Srimukh and Isert,  Clemens and Peng,  Yuxing and Sundareson,  Prabindh and Akdel,  Mehmet and Corso,  Gabriele and St\"{a}rk,  Hannes and Tauriello,  Gerardo and Carpenter,  Zachary and Bronstein,  Michael and Kucukbenli,  Emine and Schwede,  Torsten and Naef,  Luca}, year = {2024}, month = jul}
Last modified: Thursday, December 5, 2024 at 4:58 PM. See the commit on GitLab.
University of Massachusetts Amherst University of Massachusetts Amherst University of Rhode Island University of Rhode Island University of Massachusetts Dartmouth University of Massachusetts Dartmouth University of Massachusetts Lowell University of Massachusetts Lowell University of Massachusetts Boston University of Massachusetts Boston Mount Holyoke College Mount Holyoke College
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