Alternatives and similar repositories for BIMT

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

• KindXiaoming / schrodinger-pca

  View on GitHub
  Schrodinger Principal Component Analysis
  ☆23Jun 5, 2020Updated 5 years ago
• mikailkhona / Mod_Cog

  View on GitHub
  ☆15Mar 3, 2023Updated 2 years ago
• lijikun / orca-linux-deployment

  View on GitHub
  Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
  ☆17Jan 14, 2026Updated last month
• calpolyccg / MDSAPT

  View on GitHub
  SAPT energy calculator built using MDAnalysis and Psi4
  ☆15May 26, 2025Updated 8 months ago
• QChASM / Aaron

  View on GitHub
  AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…
  ☆16Jan 12, 2021Updated 5 years ago
• ferchault / APDFT

  View on GitHub
  APDFT calculates quantumchemical results for many molecules at once.
  ☆14Jul 6, 2023Updated 2 years ago
• OpenChemistry / molecules

  View on GitHub
  Common molecule fragments for visualization in Avogadro
  ☆17Feb 6, 2026Updated last week
• DanielEss-lab / Mason

  View on GitHub
  Automated Transition States Builder
  ☆11Jun 1, 2023Updated 2 years ago
• clarifying-EM / model-organisms-for-EM

  View on GitHub
  Code repo for the model organisms and convergent directions of EM papers.
  ☆49Sep 22, 2025Updated 4 months ago
• aspuru-guzik-group / xtb-gaussian

  View on GitHub
  A wrapper to run xtb inside Gaussian.
  ☆26Aug 18, 2020Updated 5 years ago
• duartegroup / cgbind

  View on GitHub
  metallocage construction and binding affinity calculations
  ☆16May 30, 2023Updated 2 years ago
• croningp / pylabware

  View on GitHub
  A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.
  ☆12Jun 16, 2021Updated 4 years ago
• YilingQiao / diffquantum

  View on GitHub
  Example code for NeurIPS 2022 paper "Differentiable Analog Quantum Computing for Learning and Control"
  ☆16Apr 6, 2023Updated 2 years ago
• StefanoBarison / Variational-Feynman-Kitaev

  View on GitHub
  This repository contains the source code for the VFK algorithm introduced in ArXiv:2204.03454
  ☆16Jun 10, 2025Updated 8 months ago
• maragraziani / concept_discovery_svd

  View on GitHub
  Automatic identification of regions in the latent space of a model that correspond to unique concepts, namely to concepts with a semantic…
  ☆14Nov 22, 2023Updated 2 years ago
• complexvariables / conformalmapping

  View on GitHub
  Conformal mapping toolkit for MATLAB
  ☆11Apr 17, 2015Updated 10 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules

  View on GitHub
  ☆12Sep 9, 2020Updated 5 years ago
• cambridge-mlg / jolt

  View on GitHub
  ☆16Sep 8, 2025Updated 5 months ago
• ckkissane / sae-transfer

  View on GitHub
  Code to reproduce key results accompanying "SAEs (usually) Transfer Between Base and Chat Models"
  ☆13Jul 18, 2024Updated last year
• michaela10c / neuralink-patents

  View on GitHub
  An explanation of patents from Neuralink in PPT format (some including Python Jupyter notebooks). For educational purposes only.
  ☆15Nov 26, 2024Updated last year
• BBN-Q / QuantumInfo.jl

  View on GitHub
  Julia library for quantum information related calculations.
  ☆18Feb 21, 2022Updated 3 years ago
• empyriumz / Entanglement-Dynamics

  View on GitHub
  Random unitary time evolution plus projective measurement in the one-dimensional quantum circuit model
  ☆13May 12, 2020Updated 5 years ago
• JamesHWade / r-mlops

  View on GitHub
  ☆14Aug 6, 2023Updated 2 years ago
• MilesCranmer / pysr_scaling_laws

  View on GitHub
  You should use PySR to find scaling laws. Here's an example.
  ☆33Sep 30, 2023Updated 2 years ago
• hsinyuan-huang / provable-ml-quantum

  View on GitHub
  Code for predicting ground states and classifying phases of matter
  ☆32Nov 23, 2022Updated 3 years ago
• lsarra / rmi

  View on GitHub
  Code to estimate Renormalized Mutual Information in simple settings
  ☆13Mar 8, 2021Updated 4 years ago
• mariainesdff / ai_math_tcs

  View on GitHub
  An introduction to theorem proving in Lean for the impatient.
  ☆19Apr 6, 2025Updated 10 months ago
• TApplencourt / EMSL_Basis_Set_Exchange_Local

  View on GitHub
  Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.
  ☆16Aug 8, 2017Updated 8 years ago
• SimonEnsemble / data_science_course

  View on GitHub
  CHE 599 at Oregon State University
  ☆21Dec 4, 2020Updated 5 years ago
• qcdb / qcdb

  View on GitHub
  quantum chemistry common driver and databases
  ☆16Dec 6, 2022Updated 3 years ago
• duartegroup / molfunc

  View on GitHub
  fast functionalisation of molecules
  ☆39Nov 8, 2021Updated 4 years ago
• Ryan-Rhys / FlowMO

  View on GitHub
  Library for training Gaussian Processes on Molecules
  ☆36Jan 28, 2022Updated 4 years ago
• ago109 / active-neural-generative-coding

  View on GitHub
  Implementation/simulation of active neural generative coding (ANGC) for training neurobiologically-plausible active inference agent model…
  ☆21Feb 19, 2024Updated last year
• bethgelab / CiteME

  View on GitHub
  CiteME is a benchmark designed to test the abilities of language models in finding papers that are cited in scientific texts.
  ☆48Nov 3, 2025Updated 3 months ago
• grimme-lab / orca.vim

  View on GitHub
  Syntax highlighting for Orca input files in vim
  ☆15Aug 29, 2022Updated 3 years ago
• bayesianempirimancer / pyDMBD

  View on GitHub
  Dynamic Markov Blanket Discovery
  ☆16Mar 27, 2024Updated last year
• hsim13372 / quantum_natural_gradient

  View on GitHub
  Quantum Natural Gradient for VQE
  ☆18Mar 18, 2022Updated 3 years ago
• dtyulman / hebbff

  View on GitHub
  Meta-learning local synaptic plasticity for continual familiarity detection
  ☆16Oct 25, 2022Updated 3 years ago
• mojaie / kiwiii

  View on GitHub
  (inactive) A web application client for chemical data analysis and visualization.
  ☆17Jun 22, 2022Updated 3 years ago