Alternatives and similar repositories for auckland-ai-meetup-x-triage:

Users that are interested in auckland-ai-meetup-x-triage are comparing it to the libraries listed below

• PeptoneLtd / dspp-keras
  Protein order and disorder data for Keras, Tensor Flow and Edward frameworks with automated update cycle made for continuous learning app…
  ☆169Updated 2 years ago
• molecule-generator-collection / ChatChemTS
  ☆15Updated last month
• skalyaanamoorthy / PoseFilter
  ☆8Updated 4 years ago
• rdkit / benchmarking_platform
  ☆26Updated 2 years ago
• rdkit / knime-rdkit
  The RDKit nodes for the KNIME Analytics Platform
  ☆26Updated 4 months ago
• kangway / mlchempapers
  A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.
  ☆14Updated 7 years ago
• choderalab / yank-examples
  Examples for use of YANK - getyank.org
  ☆12Updated 3 years ago
• BaoJingxiao / APBScore
  Atom Pair Based scoring function
  ☆9Updated 4 years ago
• sjbertolani / pyrosettabook
  ☆14Updated 5 years ago
• lhm30 / PIDGIN
  Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)
  ☆13Updated 7 years ago
• docking-org / ChemInfTools
  A collection of small scripts and utilities that would otherwise float around in other repositories
  ☆15Updated 3 weeks ago
• keisuke-yanagisawa / exprorer
  EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation
  ☆11Updated 2 years ago
• jnwei-zz / neural_reaction_fingerprint
  ☆51Updated 7 years ago
• MobleyLab / alchemical-setup
  ☆15Updated 8 years ago
• Merck / pmpo
  Probabilistic Multi-Parameter Optimization (pMPO)
  ☆16Updated 8 years ago
• jacquesboitreaud / vina_docking
  Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina
  ☆22Updated 5 years ago
• marcvanderkamp / enlighten
  Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
  ☆14Updated 5 years ago
• Merck / DeepNeuralNet-QSAR
  ☆64Updated 6 years ago
• keiserlab / LUNA
  ☆51Updated last year
• Becksteinlab / MDAnalysis-workshop
  MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop
  ☆12Updated 8 years ago
• MobleyLab / Lomap
  Alchemical mutation scoring map
  ☆37Updated 3 years ago
• drugdata / D3R
  Drug Design Data Resource is a suite of software to enable filtering, docking, and scoring of new sequences from wwpdb.
  ☆24Updated 2 years ago
• rasbt / smilite
  A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
  ☆79Updated 4 years ago
• tsudalab / ChemGE
  Population-based De Novo Molecule Generation, Using Grammatical Evolution
  ☆41Updated 4 years ago
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆80Updated 4 years ago
• alchemistry / flamel
  A free energy command line tool using alchemlyb
  ☆14Updated 2 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• OpenSourceMalaria / OSM_To_Do_List
  Action Items in the Open Source Malaria Consortium
  ☆82Updated 6 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• OpenFreeEnergy / Lomap
  Alchemical mutation scoring map
  ☆35Updated last month