Quantum Computing and Machine Learning for Drug Design and Proteins Engineering
☆14Mar 12, 2024Updated last year
Alternatives and similar repositories for InSilicoQ
Users that are interested in InSilicoQ are comparing it to the libraries listed below
Sorting:
- A Python implementation of the direct MaxFlux method for transition state search☆37Jan 30, 2026Updated last month
- ☆10Apr 30, 2025Updated 10 months ago
- Automatic multi-parameter design optimization for superconducting quantum devices☆15Updated this week
- A computational toolbox for modeling the dynamics of three-dimensional superconducting devices and materials☆17Dec 29, 2025Updated 2 months ago
- The official Python library for the Atla API☆15Jul 21, 2025Updated 7 months ago
- A LLM-friendly framework for translating dynamical equations to gymnasium-compatible RL environments.☆33Oct 16, 2025Updated 4 months ago
- Diffusion model for transition state prediction☆46Nov 30, 2023Updated 2 years ago
- Calculate the dn/ds (also pn and ps) value of cds☆13Jul 11, 2020Updated 5 years ago
- Aruba Instant (IAP) - Remote Code Execution Exploit☆10Jul 30, 2021Updated 4 years ago
- ☆13Jul 15, 2024Updated last year
- ☆12Oct 9, 2025Updated 4 months ago
- Designing new molecules as fast as possible with AI and simulation☆13Feb 12, 2025Updated last year
- A curative list of app ideas that you can implement using the Large Language Models.☆12Oct 18, 2023Updated 2 years ago
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆12Dec 26, 2022Updated 3 years ago
- ExaWorks SDK☆11Feb 1, 2024Updated 2 years ago
- JAX-based differentiable Kohn-Sham Density Functional Theory implementation for training quantum(-enhanced) neural exchange-correlation f…☆19Jan 29, 2026Updated last month
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- ☆12Jun 16, 2023Updated 2 years ago
- Contact-based protein structure prediction☆10Feb 12, 2019Updated 7 years ago
- A library for analyzing Quantum Error Correction Codes from their Tanner Graphs.☆14Aug 23, 2025Updated 6 months ago
- ☆13Dec 20, 2024Updated last year
- Python interface to cd-hit☆10Feb 26, 2019Updated 7 years ago
- The Expanded Package for IET Solvation☆13Feb 6, 2025Updated last year
- Tools to create and search a Python-based database of crystallization conditions and sequences pulled from the PDB☆12Jan 8, 2021Updated 5 years ago
- HIP: Hessians with Interatomic Potentials☆28Updated this week
- Transformer for protein function prediction (version 2)☆15Jan 8, 2026Updated 2 months ago
- Sequential Parameter Optimization in Python☆14Jan 12, 2026Updated last month
- A set a basic Python scripts to edit a multiple sequence alignment and generate a protein consensus sequence☆18Jun 9, 2022Updated 3 years ago
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated 10 months ago
- GPT-based protein language model for PTM site prediction☆19Aug 11, 2024Updated last year
- Quantum Accelerated Genome Sequencing☆11Sep 7, 2021Updated 4 years ago
- The code-base for satellite to satellite QKD simulation. The program interactively estimates and displays various parameters.☆12Oct 19, 2018Updated 7 years ago
- jax for quantum simulations☆58Feb 24, 2026Updated last week
- A bash script for an automated Rosetta Abinitio folding simulation on an HPC☆11Aug 29, 2020Updated 5 years ago
- Promoting medication adherence with ML ✨☆11May 22, 2023Updated 2 years ago
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 2 years ago
- Functions and classes for doing Gaussian process models of proteins☆11Apr 13, 2018Updated 7 years ago
- Optimization as a service TUI☆11Mar 11, 2024Updated last year
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago