Alternatives and similar repositories for Alchromy

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

• RBCanty / MIT_AMD_Platform
  Public code base for the Accelerated Molecular Discovery (AMD) platform
  ☆11Updated last year
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆17Updated 2 years ago
• ekwan / cctk
  Python-based library for working with computational chemistry files
  ☆18Updated last month
• ihalage / analogmat
  Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.
  ☆10Updated 2 years ago
• SqrtNegInf / SMARTS
  SMARTS: 'regular expressions' for chemical structures
  ☆20Updated 6 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• scidatasoft / matgen
  The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …
  ☆11Updated 4 years ago
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆21Updated 2 years ago
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆12Updated 3 years ago
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆16Updated last week
• patonlab / BDE-db2
  GNN models and Datasets for Halogen BDEs
  ☆8Updated last year
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆13Updated last year
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• lbnlp / lbnlp
  Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.
  ☆22Updated 2 years ago
• aspuru-guzik-group / da_for_polymers
  Augmenting Polymer Datasets via Iterative Rearrangement
  ☆11Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆14Updated 6 years ago
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆39Updated 3 weeks ago
• MechWolf / MechWolf
  ⚙️🐺 Robotic chemistry made easy
  ☆31Updated 2 years ago
• ciankingston / mordred_descriptors
  ☆11Updated 3 years ago
• choderalab / gimlet
  Graph Inference on MoLEcular Topology
  ☆26Updated 2 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆10Updated 4 years ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 7 months ago
• njszym / ARROWS
  ☆18Updated last year
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated 3 weeks ago
• henryorton / paramagpy
  Calculating paramagnetic NMR effects in proteins
  ☆9Updated 2 years ago
• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆13Updated 3 months ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆36Updated 2 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 4 years ago