Alternatives and similar repositories for PDBASER

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

• jensengroup / fragbuilder
  fragbuilder is a tool to create, setup and analyze QM calculations on peptides.
  ☆15Updated 10 years ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆18Updated 6 years ago
• fkaiserbio / fit3d
  🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…
  ☆11Updated 6 years ago
• PhilippJunk / homelette
  A unified and modular interface to homology modelling software
  ☆11Updated last year
• 595693085 / ProteinDescriptor
  a protein descriptor for site prediction
  ☆16Updated 5 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• Reaction-Space-Explorer / reac-space-exp
  A python implementation of open-source packages to explore the chemical reaction space associated with elementary prebiotic chemistry.
  ☆11Updated last year
• haddocking / prodigy-lig
  Prediction of Protein-Small molecule binding affinities
  ☆17Updated 9 months ago
• nczub / SerotoninAI_streamlit
  App for serotonergic targets
  ☆9Updated 4 months ago
• moldyn / Clustering
  Robust and stable clustering of molecular dynamics simulation trajectories.
  ☆18Updated 2 years ago
• Svvord / visar
  ☆13Updated 5 years ago
• rinikerlab / Physical_Chemistry_Practicum-Molecular_Dynamics_Simulations
  This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…
  ☆11Updated 2 months ago
• jingry / autoBioSeqpy
  a deep learning tool for the classification of biological sequences
  ☆18Updated this week
• ipb-halle / MetFrag
  Repo hosting the MetFrag website
  ☆10Updated 5 months ago
• ncordeirfcup / QSAR-Co-X
  ☆13Updated 2 years ago
• moldyn / FastPCA
  Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.
  ☆10Updated 3 years ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆17Updated last year
• ludovicchaput / FastTargetPred
  Target prediction
  ☆12Updated 5 years ago
• i2bc / SCAN_IDR
  ☆12Updated last year
• ljmartin / mmpbsa_from_openmm
  example demonstrating a free energy estimation starting from OFF and OpenMM
  ☆11Updated 4 years ago
• iwatobipen / vs_vina
  ☆13Updated 3 years ago
• sjdv1982 / attract
  ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)
  ☆18Updated last year
• oolonek / ISDB
  A database of In-Silico predicted MS/MS spectrum of Natural Products
  ☆15Updated 2 years ago
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆36Updated last month
• kexinhuang12345 / MolDesigner-Public
  MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)
  ☆16Updated 4 years ago
• dkoes / GNINA-1.0
  Paper for release
  ☆11Updated 3 years ago
• asadahmedtech / DEELIG
  Binding Affinity Prediction using Deep learning models
  ☆12Updated 4 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆23Updated 3 months ago
• evomol-lab / CoRINs
  ☆9Updated 2 years ago
• CMD-Oxford / MichelaNGLo
  A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site
  ☆12Updated 3 years ago