Open source alternatives to diffdock
24 open source AI Skills apps to use instead, best rated first.
Top picks
- G
github-ops
Launchgithub-ops is an agent skill from the ECC collection by affaan-m, listed on skills.sh. It manages a GitHub repository with a focus on community health, CI reliability and the experience of contributors. It covers triaging issues by classify
Open source
- O
opensource-pipeline
Launchopensource-pipeline is an agent skill from the ECC collection by affaan-m, listed on skills.sh. It prepares a private project for safe public release through a three-stage pipeline. The fork stage strips secrets from a copy. The sanitise st
Open source
- A
andrej-karpathy-skills
Launchandrej-karpathy-skills is a single CLAUDE.md file from the multica-ai project that is meant to improve how Claude Code behaves on coding tasks. It is derived from Andrej Karpathy's public observations about LLM coding pitfalls. The file dis
Open source
- M
microsoft/markitdown
Launchmarkitdown-mcp is the MCP server package for MarkItDown, Microsoft's tool for converting many file formats to Markdown for language models. It is a lightweight server that runs over stdio, Streamable HTTP or SSE, and exposes one tool, conve
Open source
- O
od-contribute
Launchod-contribute is an agent skill in the OpenDesign project that provides a guided, one-click contribution flow to the OpenDesign repository, written so that people without a coding background can send a real pull request. It is locked to the
Open source
- G
github-deep-research
Launchgithub-deep-research is an agent skill from the DeerFlow project that researches a single GitHub repository in several rounds and writes a report in Markdown. It is for requests that need more than a README summary, such as a comprehensive
Open source
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About diffdock
diffdock
Predicts protein-small-molecule binding poses
diffdock is an agent skill for predicting protein and small-molecule binding poses with DiffDock and DiffDock-L. You can start from a PDB structure or a protein sequence, and a ligand given as SMILES, SDF or MOL2. The model generates candidate ligand poses and ranks them by model confidence. The skill is clear that confidence is neither a measured probability of correctness nor a binding affinity. It covers a single protein-ligand pair, batch docking, and runs against separate receptor conformations. It advises treating a library-wide sort by confidence as pose triage, not as hit identification. The skill targets DiffDock v1.1.3. Its source and the current main branch's inference script were checked on 30 September 2026. Bundled helpers were tested on tiny synthetic inputs, but pretrained docking, ESMFold, CUDA, Docker, GNINA and hosted demo runs were not executed in that review. The skill labels the commands that need those components as source-verified recipes rather than demonstrated end-to-end runs. It also includes steps for setting up the upstream environment. It is part of the k-dense-ai scientific agent skills repository on GitHub, which has about 49,600 stars.
- Price
- Free
- Made by
- k-dense-ai
- Category
- AI Skills
- Website
- github.com/k-dense-ai/scientific-agent-skills/diffdock