Jupyter
☆32Dec 4, 2024Updated last year
Alternatives and similar repositories for CS345
Users that are interested in CS345 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago
- ☆17Sep 16, 2025Updated 8 months ago
- Tools to create and search a Python-based database of crystallization conditions and sequences pulled from the PDB☆13Jan 8, 2021Updated 5 years ago
- explanation / demos of topology concepts☆14May 25, 2022Updated 3 years ago
- Simple User-Friendly Reaction Format☆19Oct 22, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆32Apr 28, 2026Updated 3 weeks ago
- Code for JMLR paper ``Learning Representations of Persistence Barcodes``☆25Mar 6, 2020Updated 6 years ago
- RDKitMinimalLib wrapper for the Julia programming language☆25Jan 27, 2026Updated 3 months ago
- LLM-powered agents for scientific research automation☆61Updated this week
- utilities for calculating bond dissociation energies☆37Jun 30, 2022Updated 3 years ago
- Computational Chemistry Input Generator☆50Feb 12, 2026Updated 3 months ago
- Visualize atom and non-atom attributions and SMILES strings☆50May 8, 2026Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆62Updated this week
- CAlculation of NMR Chemical Shifts using Deep LEarning☆66Mar 27, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆104Apr 24, 2026Updated 3 weeks ago
- ☆93Dec 6, 2021Updated 4 years ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆102Feb 16, 2025Updated last year
- A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…☆253May 13, 2026Updated last week
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆125Apr 23, 2026Updated 3 weeks ago
- Distances and representations of persistence diagrams☆139Apr 5, 2026Updated last month
- DiscoGrad - automatically differentiate across conditional branches in C++ programs☆211Sep 12, 2024Updated last year
- Boltzmann Generators and Normalizing Flows in PyTorch☆197Jan 30, 2024Updated 2 years ago
- ☆290Jan 16, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Torch-native, batchable, atomistic simulations.☆460May 13, 2026Updated last week
- A scientific instrument for investigating latent spaces☆759Apr 12, 2026Updated last month
- Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science☆1,244Jul 13, 2025Updated 10 months ago
- A modular framework for neural networks with Euclidean symmetry☆1,252Feb 13, 2026Updated 3 months ago
- Run any open-source LLMs, such as DeepSeek and Llama, as OpenAI compatible API endpoint in the cloud.☆12,329Updated this week
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆6,746Mar 2, 2026Updated 2 months ago
- Run, manage, and scale AI workloads on any AI infrastructure. Use one system to access & manage all AI compute (Kubernetes, Slurm, 20+ cl…☆9,987Updated this week
- A curated list of Multiplayer Game Network Programming Resources☆8,517Mar 23, 2026Updated last month
- A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.☆9,857Apr 9, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- NLTK Source☆14,619May 1, 2026Updated 2 weeks ago
- A community-maintained Python framework for creating mathematical animations.☆38,388May 11, 2026Updated last week
- This repository contains implementations and illustrative code to accompany DeepMind publications☆14,926May 12, 2026Updated last week
- A curated awesome list of lists of interview questions. Feel free to contribute!☆82,560Jul 29, 2024Updated last year
- You like pytorch? You like micrograd? You love tinygrad! ❤️☆32,703Updated this week
- GitHub’s official command line tool☆44,404May 14, 2026Updated last week
- LLM Frontend for Power Users.☆27,780Updated this week