open-mol / bioagent

Apache License 2.0
0 stars 0 forks source link

update from bioagent to presto #18

Closed super-dainiu closed 2 weeks ago

super-dainiu commented 2 weeks ago

Summary by CodeRabbit

coderabbitai[bot] commented 2 weeks ago

[!WARNING]

Review failed

The pull request is closed.

Walkthrough

The project underwent a rebranding to "PRESTO," emphasizing pretraining large language models for synthetic chemistry tasks. Import statements were updated across scripts, switching from bioagent to presto for constants and chemistry tools. The README now provides comprehensive guidelines for installation, pretraining, evaluation, and more, enhancing usability.

Changes

Files Change Summaries
molecule_build_catalyst_prediction.py
molecule_build_reagent_prediction.py
molecule_build_reagent_prediction_molins.py
molecule_build_solvent_prediction.py
build_reagent_selection.py
Constants and chemistry tool imports shifted from bioagent to presto. Removal of tokenizer initialization.
molecule_build_retrosynthesis_molins.py
molecule_build_retrosynthesis_smol.py
build_yield_prediction.py
Import statements updated from bioagent to presto for modules related to chemistry tools.
evaluate_model.py
serve_model.py
train_model.py
Changed import paths from bioagent to presto for various modules.
setup.py Package name changed from "bioagent" to "presto"

Poem

In the world of code, changes unfold,
From bioagents to presto, a tale retold.
Chemically weaving a language model's dance,
PRESTO rises, enhancing synthetic romance.
Instructions clear, like a rabbit's prance,
Empowering users with a new coding stance. 🐰✨


[!NOTE]

Summarized by CodeRabbit Free Your organization is on the Free plan. CodeRabbit will generate a high-level summary and a walkthrough for each pull request. For a comprehensive line-by-line review, please upgrade your subscription to CodeRabbit Pro by visiting
Tips ### Chat There are 3 ways to chat with [CodeRabbit](https://coderabbit.ai): - Review comments: Directly reply to a review comment made by CodeRabbit. Example: - `I pushed a fix in commit .` - `Generate unit testing code for this file.` - `Open a follow-up GitHub issue for this discussion.` - Files and specific lines of code (under the "Files changed" tab): Tag `@coderabbitai` in a new review comment at the desired location with your query. Examples: - `@coderabbitai generate unit testing code for this file.` - `@coderabbitai modularize this function.` - PR comments: Tag `@coderabbitai` in a new PR comment to ask questions about the PR branch. For the best results, please provide a very specific query, as very limited context is provided in this mode. Examples: - `@coderabbitai generate interesting stats about this repository and render them as a table.` - `@coderabbitai show all the console.log statements in this repository.` - `@coderabbitai read src/utils.ts and generate unit testing code.` - `@coderabbitai read the files in the src/scheduler package and generate a class diagram using mermaid and a README in the markdown format.` - `@coderabbitai help me debug CodeRabbit configuration file.` Note: Be mindful of the bot's finite context window. It's strongly recommended to break down tasks such as reading entire modules into smaller chunks. For a focused discussion, use review comments to chat about specific files and their changes, instead of using the PR comments. ### CodeRabbit Commands (invoked as PR comments) - `@coderabbitai pause` to pause the reviews on a PR. - `@coderabbitai resume` to resume the paused reviews. - `@coderabbitai review` to trigger an incremental review. This is useful when automatic reviews are disabled for the repository. - `@coderabbitai full review` to do a full review from scratch and review all the files again. - `@coderabbitai summary` to regenerate the summary of the PR. - `@coderabbitai resolve` resolve all the CodeRabbit review comments. - `@coderabbitai configuration` to show the current CodeRabbit configuration for the repository. - `@coderabbitai help` to get help. Additionally, you can add `@coderabbitai ignore` anywhere in the PR description to prevent this PR from being reviewed. ### CodeRabbit Configration File (`.coderabbit.yaml`) - You can programmatically configure CodeRabbit by adding a `.coderabbit.yaml` file to the root of your repository. - Please see the [configuration documentation](https://docs.coderabbit.ai/guides/configure-coderabbit) for more information. - If your editor has YAML language server enabled, you can add the path at the top of this file to enable auto-completion and validation: `# yaml-language-server: $schema=https://coderabbit.ai/integrations/schema.v2.json` ### Documentation and Community - Visit our [Documentation](https://coderabbit.ai/docs) for detailed information on how to use CodeRabbit. - Join our [Discord Community](https://discord.com/invite/GsXnASn26c) to get help, request features, and share feedback. - Follow us on [X/Twitter](https://twitter.com/coderabbitai) for updates and announcements.
super-dainiu commented 2 weeks ago

@coderabbitai full review

coderabbitai[bot] commented 2 weeks ago
Actions performed Full review triggered.