Alternatives and similar repositories for resources_2025:

Users that are interested in resources_2025 are comparing it to the libraries listed below

• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆24Updated this week
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆27Updated 7 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated last month
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆15Updated 5 months ago
• vktrannguyen / MLSF-protocol
  ☆37Updated last year
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated 3 months ago
• ci-lab-cz / streamd
  Automate MD associated calculations
  ☆54Updated last week
• polaris-hub / polaris-method-comparison
  Experiments for the method comparison paper.
  ☆21Updated last month
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆42Updated last month
• mangeshdamre / Free-Energy-Landscape
  ☆12Updated 3 years ago
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆38Updated 8 months ago
• meyresearch / BALM
  Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models
  ☆18Updated last month
• dfwlab / cyclicpepedia
  ☆15Updated 11 months ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆53Updated this week
• fimrie / DeepCoy
  ☆24Updated 11 months ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆45Updated last month
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆26Updated 3 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆31Updated 7 months ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆25Updated 3 years ago
• janash / iqb-2024
  Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking
  ☆52Updated 2 weeks ago
• rochoa85 / PepFun2
  PepFun 2.0: improved protocols for the analysis of natural and modified peptides
  ☆20Updated last year
• czodrowskilab / VSFlow
  ☆85Updated last year
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆18Updated 11 months ago
• Vfold-RNA / RLDOCK
  ☆30Updated 9 months ago
• pfizer-opensource / pfabnet-viscosity
  ☆13Updated 2 years ago
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆20Updated 5 months ago
• rwmontalvao / Melodia_py
  Protein Structure Analysis
  ☆51Updated last week
• rinikerlab / overlapping_assays
  Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
  ☆32Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• DweipayanG / GROMACS-Protein-Ligand
  ☆41Updated 2 years ago