LLM-powered agents for scientific research automation
☆99Nov 5, 2026Updated this week
Alternatives and similar repositories for SciLink
Users that are interested in SciLink are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- i-PI: a universal force engine☆13May 12, 2026Updated 5 months ago
- Generator of polynomial machine learning potentials☆24Updated this week
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆19Dec 28, 2023Updated 2 years ago
- Python package for automated transition metal complex conformer generation☆26Dec 4, 2025Updated 11 months ago
- ☆10Mar 25, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Fully and Partially Bayesian Neural Nets☆85Apr 30, 2025Updated last year
- An MCP server implementation enabling AI applications to interact with Globus services☆12Oct 29, 2026Updated last week
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆76Jun 24, 2026Updated 4 months ago
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆27Sep 28, 2026Updated last month
- Materials for "AI for Atoms: How to Machine Learn STEM" Workshop☆18Dec 10, 2020Updated 5 years ago
- QUASAR is an autonomous system for end-to-end scientific discovery, integrating LLMs with simulation tools to automate workflows across q…☆21May 26, 2026Updated 5 months ago
- A 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated last month
- AI-assisted intelligent realtime microscopy☆11Jun 3, 2026Updated 5 months ago
- Torch-native, batchable, atomistic simulations.☆507Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Distributed system for scaling quantum chemistry computations☆20Jul 15, 2026Updated 3 months ago
- Gaussian Processes for Experimental Sciences☆242Jul 4, 2025Updated last year
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆135Sep 28, 2026Updated last month
- A multi-scale computational suite for macroscopic thermodynamic phase modeling and extraction evaluation☆11May 21, 2026Updated 5 months ago
- CUDA implementation of differentiable ptychographic family☆19Jun 2, 2026Updated 5 months ago
- A REST API built with Deno, TypeScript, and Hono that serves Philippine Congress data from a Neo4j graph database. Based on data from the…☆13Oct 25, 2025Updated last year
- Algorithmic process optimization and AI experiment design☆48Aug 3, 2026Updated 3 months ago
- ☆21Apr 29, 2024Updated 2 years ago
- Material for the GDS Virtual Tutorial Series☆21Nov 21, 2025Updated 11 months ago
- 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.
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆35Oct 21, 2024Updated 2 years ago
- Ptychodus is a ptychography data analysis application.☆15Updated this week
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated last year
- Tools for extracting data and metadata from scientific data files☆16Oct 23, 2026Updated 2 weeks ago
- Meta's UMA and Orbital Materials' Orb-v3/OrbMol interatomic potential models, running on Tenstorrent hardware.☆26Sep 17, 2026Updated last month
- Notebooks for Active learning in microscopy.☆11May 6, 2026Updated 6 months ago
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 8 months ago
- Jupyter notebooks describing data analysis procedures for my published/submitted papers☆14Jan 16, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Integrating AtomisticSkills into Agentic IDEs (Cursor, Claude Code, Codex, Google Antigravity, Hermes Agent, etc)☆186Oct 27, 2026Updated last week
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆129Oct 28, 2026Updated last week
- Deep Learning Scaling tutorial material for the Deep Learning for Science School at Berkeley Lab☆10Jul 19, 2019Updated 7 years ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆39Oct 31, 2026Updated last week
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆106Jul 16, 2024Updated 2 years ago
- ☆19Apr 30, 2021Updated 5 years ago