Merge pull request #26 from asapdiscovery/llm_llamaindex

Llm llamaindex
asapdiscovery · Sep 19, 2024 · d899c95 · d899c95
2 parents 7c0520b + c5ddc63
commit d899c95
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diff --git a/devtools/conda-envs/falcbot.yaml b/devtools/conda-envs/falcbot.yaml
@@ -20,6 +20,9 @@ dependencies:
   - pydantic<2.0a0
   - biopython
 
+  # llm 
+  - llama-index
+
 
   # ml
   - pytorch
@@ -36,17 +39,6 @@ dependencies:
   - mtenn >=0.5.1
   - wandb
   - semver
-
-
-  # alchemy
-  - numpy
-  - gufe =>0.9.5
-  - httpx
-  - perses >=0.10.2
-  - kartograf
-  - rich
-  - alchemiscale-client
-  - cinnabar >=0.4.1
   - openeye-toolkits
 
   # other asapdiscovery deps
@@ -59,11 +51,10 @@ dependencies:
 
     # Pip-only installs
   - pip:
-    - git+https://github.com/choderalab/asapdiscovery@cdd_download#egg=asapdiscovery-alchemy&subdirectory=asapdiscovery-alchemy
-    - git+https://github.com/choderalab/asapdiscovery@cdd_download#egg=asapdiscovery-data&subdirectory=asapdiscovery-data
-    - git+https://github.com/choderalab/asapdiscovery@cdd_download#egg=asapdiscovery-modeling&subdirectory=asapdiscovery-modeling
-    - git+https://github.com/choderalab/asapdiscovery@cdd_download#egg=asapdiscovery-docking&subdirectory=asapdiscovery-docking
-    - git+https://github.com/choderalab/asapdiscovery@cdd_download#egg=asapdiscovery-ml&subdirectory=asapdiscovery-ml
-
+    - git+https://github.com/choderalab/asapdiscovery@main#egg=asapdiscovery-alchemy&subdirectory=asapdiscovery-alchemy
+    - git+https://github.com/choderalab/asapdiscovery@main#egg=asapdiscovery-data&subdirectory=asapdiscovery-data
+    - git+https://github.com/choderalab/asapdiscovery@main#egg=asapdiscovery-modeling&subdirectory=asapdiscovery-modeling
+    - git+https://github.com/choderalab/asapdiscovery@main#egg=asapdiscovery-docking&subdirectory=asapdiscovery-docking
+    - git+https://github.com/choderalab/asapdiscovery@main#egg=asapdiscovery-ml&subdirectory=asapdiscovery-ml