Alternatives and similar repositories for FID-Net

Users that are interested in FID-Net are comparing it to the libraries listed below

• fmaschietto / mdigest
  ☆34Updated last year
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆43Updated last year
• KULL-Centre / DEERpredict
  Software for the prediction of DEER and PRE data from conformational ensembles.
  ☆12Updated 5 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆61Updated last month
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆112Updated last week
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆57Updated 2 months ago
• durrantlab / gypsum_dl
  Open-source tool to generate 3D-ready small molecules for virtual screening
  ☆67Updated 2 months ago
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆34Updated 6 months ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated last month
• maccallumlab / martini_openmm
  ☆56Updated 2 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆87Updated 2 weeks ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆56Updated 5 months ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆36Updated last week
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆54Updated last week
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 5 years ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆107Updated last month
• aethertier / secstructartist
  A python module to plot secondary structure schemes
  ☆25Updated 2 years ago
• pstansfeld / MemProtMD
  ☆45Updated this week
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆132Updated 2 years ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆66Updated 2 weeks ago
• log-md / logmd
  ☆65Updated 6 months ago
• msmbuilder / msmbuilder2022
  Statistical models for biomolecular dynamics
  ☆38Updated 5 months ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆62Updated 5 months ago
• katritchlab / V-SYNTHES
  ☆78Updated 3 years ago
• molecularinformatics / roshambo
  ☆89Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆81Updated 2 months ago
• tiwarylab / alphafold2rave
  ☆69Updated last year
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 7 months ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆48Updated 2 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆56Updated 4 months ago