Alternatives and similar repositories for AI4PD_2023

Users that are interested in AI4PD_2023 are comparing it to the libraries listed below

• drewnutt / open_combind
  Open-source docking pipeline leveraging pairwise statistics
  ☆12Updated 9 months ago
• meilerlab / AF2_GPCR_Kinase
  A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2
  ☆11Updated last year
• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆17Updated last year
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆23Updated 2 months ago
• CCPBioSim / CCP5_Simulation_of_BioMolecules
  ☆13Updated 9 months ago
• smu-tao-group / LAST
  LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories
  ☆12Updated 2 years ago
• ljmartin / mmpbsa_from_openmm
  example demonstrating a free energy estimation starting from OFF and OpenMM
  ☆11Updated 4 years ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆23Updated 2 years ago
• fsatool / fsatool.github.io
  A fast sampling and analysis tool for biomolecules
  ☆16Updated 3 months ago
• Kuhlman-Lab / proteinmpnn
  our in-house version of ProteinMPNN
  ☆17Updated 2 months ago
• MiaoLab20 / DBMD
  Deep Boosted Molecular Dynamics
  ☆12Updated 8 months ago
• ShenLab / SeqDance
  code for SeqDance/ESMDance, biophysics-informed protein language models
  ☆34Updated last month
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆30Updated this week
• volkamerlab / plipify
  ☆16Updated 2 years ago
• RosettaCommons / demos
  Demos of many Rosetta applications
  ☆17Updated this week
• mtplr / pyMol-cookbook
  Some notes (cookbook) for pyMol. Protein Crystallography course.
  ☆15Updated 3 years ago
• yakomaxa / PyMOL-Wasm
  PyMOL-wasm port's binary and html/javascript code
  ☆24Updated last year
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆29Updated 11 months ago
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆42Updated last week
• chonglab-pitt / wedap
  Weighted Ensemble Data Analysis and Plotting
  ☆24Updated 8 months ago
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆22Updated last month
• tiwarylab / State-Predictive-Information-Bottleneck
  ☆25Updated last year
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated 6 months ago
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆30Updated 3 months ago
• Gxy-with-luv / AFF2024
  No description yet.
  ☆15Updated 9 months ago
• alexiscourbet / Computational-design-of-protein-nanomachines
  Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…
  ☆10Updated 3 years ago
• dkoes / conformer_analysis
  ☆15Updated last year
• MolecularAI / maize-contrib
  Contributed and additional nodes for maize
  ☆14Updated last month
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆37Updated 2 months ago
• matteoferla / pyrosetta-help
  Some scripts that I keep using over and over.
  ☆18Updated 4 months ago