CompBiochBiophLab / sbm-openmm

Related projects ⓘ

Alternatives and complementary repositories for sbm-openmm

• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆20Updated last year
• dkoes / md-scripts
  A collections of scripts for working molecular dynamics simulations
  ☆40Updated 5 months ago
• choderalab / kinase-metadynamics
  To run metadynamics simulations using openMM (based on Peter Eastman's script)
  ☆11Updated 5 years ago
• KMNitesh05 / GROMACS_tutorial
  ☆39Updated last year
• MiaoLab20 / pyreweighting
  ☆25Updated last year
• PatWalters / EFMC
  Code to accompany "Practical Cheminformatics With Open Source Software"
  ☆16Updated 2 years ago
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆35Updated 3 months ago
• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆12Updated last year
• ChenGiuseppe / PyMM
  A Python program for QM/MM Simulations based on the Perturbed Matrix Method
  ☆24Updated last year
• luigibonati / masterclass-plumed
  ☆10Updated 5 months ago
• cabb99 / open3spn2
  An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
  ☆18Updated 6 months ago
• ParImmune / SINAPs
  ☆18Updated 3 years ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆33Updated 2 months ago
• otayfuroglu / deepQM
  ☆27Updated 5 months ago
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆43Updated 3 years ago
• JingHuangLab / openmm_deepmd_plugin
  ☆19Updated 2 months ago
• ci-lab-cz / streamd
  Automate MD associated calculations
  ☆35Updated this week
• sbhakat / AF-cryptic-pocket
  Cryptic pocket prediction using AlphaFold 2
  ☆22Updated last year
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆14Updated 4 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 2 years ago
• pstansfeld / MemProtMD
  ☆32Updated 3 months ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆23Updated 5 months ago
• samplchallenges / SAMPL8
  Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
  ☆23Updated this week
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆50Updated 3 weeks ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated 9 months ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆30Updated 2 weeks ago
• ParkerdeWaal / AMBER-Maestro-lipid-tutorial
  Tutorial to build AMBER compatable protein+lipid systems
  ☆14Updated 7 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆17Updated last month
• chonglab-pitt / wedap
  Weighted Ensemble Data Analysis and Plotting
  ☆19Updated 2 months ago