Alternatives and similar repositories for Inverse_copolymer_design

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

• TRI-AMDD / PolyGen
  ☆14Updated this week
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆16Updated last week
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 6 months ago
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆36Updated this week
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated last year
• qai222 / LLM_organic_synthesis
  ☆25Updated 11 months ago
• grzsko / ASAP
  ☆14Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 11 months ago
• lowkc / solv_gnn
  GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL
  ☆12Updated 2 years ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆49Updated this week
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆60Updated 8 months ago
• sekijima-lab / TRACER
  ☆14Updated last month
• rinikerlab / GNNImplicitSolvent
  Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations
  ☆39Updated 2 weeks ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆39Updated 2 years ago
• czodrowskilab / x-fp
  ☆16Updated last year
• lukasturcani / atomlite
  Store your chemical data in a single file!
  ☆12Updated last week
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆42Updated 4 years ago
• schwallergroup / steer
  ☆25Updated last month
• seonghann / tsdiff
  Diffusion model for transition state prediction
  ☆33Updated last year
• alejandrosantanabonilla / pysoftk
  Python program for modelling and simulating polymers.
  ☆35Updated this week
• JelfsMaterialsGroup / stko
  A collection of molecular optimisers and property calculators for use with stk.
  ☆23Updated last week
• MarieOestreich / DrugDiff
  ☆37Updated last month
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆66Updated last month
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆23Updated last month
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆53Updated 3 months ago
• uiocompcat / tmQMg
  Repository for the tmQMg dataset files and analysis scripts.
  ☆13Updated 2 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last month
• NREL / m2p
  ☆29Updated 9 months ago
• jensengroup / protonator
  Quick and dirty protonation
  ☆16Updated 2 years ago
• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 2 months ago