Alternatives and similar repositories for icons-for-chemists

Users that are interested in icons-for-chemists are comparing it to the libraries listed below

• jensengroup / mbh_catalyst_ga
  Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm
  ☆10Updated last year
• duartegroup / metallicious
  ☆17Updated last year
• grimme-lab / crest
  Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
  ☆34Updated 3 months ago
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆28Updated last month
• isayevlab / aimnetcentral
  ☆41Updated last month
• samplchallenges / SAMPL9
  ☆31Updated 2 years ago
• JacksonBurns / fastsolv
  fastsolv python package, website, and paper code
  ☆37Updated 2 months ago
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆34Updated last year
• PodewitzLab / PyConSolv
  ☆25Updated 3 months ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆28Updated last year
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆34Updated 3 years ago
• cgrambow / ard_gsm
  Automated reaction discovery and dataset generation with the growing string method
  ☆21Updated 5 years ago
• whitead / synspace
  Synthesis generative model
  ☆47Updated 6 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆54Updated last month
• AbramsGroup / HTPolyNet
  Development of High-Throughput Polymer Network Atomistic Simulation
  ☆25Updated 11 months ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆37Updated 3 years ago
• Exscientia / physicsml
  A package for all physics based/related models
  ☆53Updated last year
• duartegroup / cgbind
  metallocage construction and binding affinity calculations
  ☆15Updated 2 years ago
• choderalab / espaloma-charge
  Standalone charge assignment from Espaloma framework.
  ☆43Updated 3 weeks ago
• JMorado / ParaMol
  A Package for Parametrization of Molecular Mechanics Force Fields
  ☆32Updated 2 years ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆18Updated last year
• chimie-paristech-CTM / TS-tools
  This is the repository corresponding to the TS-tools project.
  ☆23Updated last month
• iribirii / smiles2svg
  ☆28Updated 2 years ago
• NREL / m2p
  ☆34Updated 3 months ago
• alejandrosantanabonilla / pysoftk
  Python program for modelling and simulating polymers.
  ☆39Updated last week
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆66Updated 9 months ago
• isayevlab / aimnetnse
  AIMNet-NSE model
  ☆46Updated last year
• jensengroup / protonator
  Quick and dirty protonation
  ☆17Updated 3 years ago
• rinikerlab / EquivariantMultipoleGNN
  Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.
  ☆30Updated 3 years ago
• OMaraLab / polyconstruct
  A Python library for constructing polymer topologies and coordinates
  ☆16Updated last month